2-isoquinolin-2-ium-2-yl-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: N-(isoamylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C17H21N3O2/c1-13(2)7-9-18-17(22)19-16(21)12-20-10-8-14-5-3-4-6-15(14)11-20/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H-,18,19,21,22)/p+1