Compound C18H18ClNO4S

4-[(4-chlorophenyl)methyl]-8-methoxyisoquinolin-2-ium;methanesulfonate

CAS: 61189-86-4

Molecular Formula	`C18H18ClNO4S`
Molecular Weight	379.9 g/mol
Topological Polar Surface Area	89.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	379.0645
Heavy Atoms	25
Complexity	383.0

Chemical Identifiers

CAS Number	61189-86-4
SMILES	`COC1=CC=CC2=C1C=[NH+]C=C2CC3=CC=C(C=C3)Cl.CS(=O)(=O)[O-]`
InChIKey	`NVKDPQAJLGEITF-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H18ClNO4S (CAS: 61189-86-4) is a chemical compound with molecular formula C18H18ClNO4S and molecular weight 379.9 g/mol. Its IUPAC systematic name is 4-[(4-chlorophenyl)methyl]-8-methoxyisoquinolin-2-ium;methanesulfonate. Topological Polar Surface Area 89.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 379.0645 Heavy Atoms 25 Complexity 383.0 InChI Key: NVKDPQAJLGEITF-UHFFFAOYSA-N. SMILES: COC1=CC=CC2=C1C=[NH+]C=C2CC3=CC=C(C=C3)Cl.CS(=O)(=O)[O-].

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