2-isoquinolin-2-ium-2-yl-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(benzylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C19H18N3O2+ MolecularWeight: 320.36512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H17N3O2/c23-18(21-19(24)20-12-15-6-2-1-3-7-15)14-22-11-10-16-8-4-5-9-17(16)13-22/h1-11,13H,12,14H2,(H-,20,21,23,24)/p+1