(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)-(4-methylphenyl)methanone chloride

CAS: 50279-99-7

Molecular Formula	`C21H21ClN2O3`
Molecular Weight	384.9 g/mol
Topological Polar Surface Area	44.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	384.12408
Heavy Atoms	27
Complexity	547.0

Chemical Identifiers

CAS Number	50279-99-7
SMILES	`CC1=CC=C(C=C1)C(=O)N2C3=C(C[NH+](CC3)C)C4=CC5=C(C=C42)OCO5.[Cl-]`
InChIKey	`FWEIIYWZIXRVLU-UHFFFAOYSA-N`

📖 Product Overview

(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)-(4-methylphenyl)methanone chloride (CAS: 50279-99-7) is a chemical compound with molecular formula C21H21ClN2O3 and molecular weight 384.9 g/mol. Its IUPAC systematic name is (4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)-(4-methylphenyl)methanone chloride. Topological Polar Surface Area 44.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 384.12408 Heavy Atoms 27 Complexity 547.0 InChI Key: FWEIIYWZIXRVLU-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)C(=O)N2C3=C(C[NH+](CC3)C)C4=CC5=C(C=C42)OCO5.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)-(4-methylphenyl)methanone chloride.

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