Compound C18H22ClNO2

7-methyl-5-[(1-methylcyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

CAS: 16994-50-6

Molecular Formula	`C18H22ClNO2`
Molecular Weight	319.8 g/mol
Topological Polar Surface Area	32.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	319.1339
Heavy Atoms	22
Complexity	379.0

Chemical Identifiers

CAS Number	16994-50-6
SMILES	`CC1=CC2=CC3=C(C=C2C(=[NH+]1)CC4(CCCC4)C)OCO3.[Cl-]`
InChIKey	`LFSGCMJDVVXGRP-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H22ClNO2 (CAS: 16994-50-6) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.8 g/mol. Its IUPAC systematic name is 7-methyl-5-[(1-methylcyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride. Topological Polar Surface Area 32.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 319.1339 Heavy Atoms 22 Complexity 379.0 InChI Key: LFSGCMJDVVXGRP-UHFFFAOYSA-N. SMILES: CC1=CC2=CC3=C(C=C2C(=[NH+]1)CC4(CCCC4)C)OCO3.[Cl-].

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