[(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride

CAS: 63916-73-4

Molecular Formula	`C17H24ClNO2`
Molecular Weight	309.8 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	309.14957
Heavy Atoms	21
Complexity	338.0

Chemical Identifiers

CAS Number	63916-73-4
SMILES	`C[NH+]1CCC2CCCC(C2C1)OC(=O)C3=CC=CC=C3.[Cl-]`
InChIKey	`YSHZIKZWOGLLFO-RDXSVFNDSA-N`

📖 Product Overview

[(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride (CAS: 63916-73-4) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.8 g/mol. Its IUPAC systematic name is [(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 309.14957 Heavy Atoms 21 Complexity 338.0 InChI Key: YSHZIKZWOGLLFO-RDXSVFNDSA-N. SMILES: C[NH+]1CCC2CCCC(C2C1)OC(=O)C3=CC=CC=C3.[Cl-].

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride.

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