N-isoquinolin-2-ium-2-ylbenzamide chloride

CAS: 31382-97-5

Molecular Formula	`C16H13ClN2O`
Molecular Weight	284.74 g/mol
Topological Polar Surface Area	33.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	284.07166
Heavy Atoms	20
Complexity	312.0

Chemical Identifiers

CAS Number	31382-97-5
SMILES	`C1=CC=C(C=C1)C(=O)N[N+]2=CC3=CC=CC=C3C=C2.[Cl-]`
InChIKey	`HOKZMRKYWOJKQC-UHFFFAOYSA-N`

📖 Product Overview

N-isoquinolin-2-ium-2-ylbenzamide chloride (CAS: 31382-97-5) is a chemical compound with molecular formula C16H13ClN2O and molecular weight 284.74 g/mol. Its IUPAC systematic name is N-isoquinolin-2-ium-2-ylbenzamide chloride. Topological Polar Surface Area 33.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 284.07166 Heavy Atoms 20 Complexity 312.0 InChI Key: HOKZMRKYWOJKQC-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C(=O)N[N+]2=CC3=CC=CC=C3C=C2.[Cl-].

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