N-(cyclopentylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(cyclopentylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H19N3O2/c21-16(19-17(22)18-15-7-3-4-8-15)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-2,5-6,9-11,15H,3-4,7-8,12H2,(H-,18,19,21,22)/p+1