Compound C25H32ClNO5

1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride

CAS: 37528-72-6

Molecular Formula	`C25H32ClNO5`
Molecular Weight	462.0 g/mol
Topological Polar Surface Area	58.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	461.1969
Heavy Atoms	32
Complexity	779.0

Chemical Identifiers

CAS Number	37528-72-6
SMILES	`CCOC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)[NH+]2C)OCC)OCC)OCC.[Cl-]`
InChIKey	`LNODWMPGDTYCQO-UHFFFAOYSA-N`

📖 Product Overview

Compound C25H32ClNO5 (CAS: 37528-72-6) is a chemical compound with molecular formula C25H32ClNO5 and molecular weight 462.0 g/mol. Its IUPAC systematic name is 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride. Topological Polar Surface Area 58.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 461.1969 Heavy Atoms 32 Complexity 779.0 InChI Key: LNODWMPGDTYCQO-UHFFFAOYSA-N. SMILES: CCOC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)[NH+]2C)OCC)OCC)OCC.[Cl-].

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