Compound C18H16ClNO5S

6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium;methanesulfonate

CAS: 61189-98-8

Molecular Formula	`C18H16ClNO5S`
Molecular Weight	393.8 g/mol
Topological Polar Surface Area	98.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	393.04376
Heavy Atoms	26
Complexity	438.0

Chemical Identifiers

CAS Number	61189-98-8
SMILES	`CS(=O)(=O)[O-].C1OC2=C(O1)C3=C(C=C2)C(=C[NH+]=C3)CC4=CC=C(C=C4)Cl`
InChIKey	`PNZNXJARASHLHK-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H16ClNO5S (CAS: 61189-98-8) is a chemical compound with molecular formula C18H16ClNO5S and molecular weight 393.8 g/mol. Its IUPAC systematic name is 6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium;methanesulfonate. Topological Polar Surface Area 98.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 393.04376 Heavy Atoms 26 Complexity 438.0 InChI Key: PNZNXJARASHLHK-UHFFFAOYSA-N. SMILES: CS(=O)(=O)[O-].C1OC2=C(O1)C3=C(C=C2)C(=C[NH+]=C3)CC4=CC=C(C=C4)Cl.

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