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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: N-(isobutylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: N-(isobutylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-12(2)9-17-16(21)18-15(20)11-19-8-7-13-5-3-4-6-14(13)10-19/h3-8,10,12H,9,11H2,1-2H3,(H-,17,18,20,21)/p+1