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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(3-nitrophenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(3-nitrophenyl)acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(3-nitrophenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(3-nitrophenyl)acetamide Formula: C17H14N3O3+ MolecularWeight: 308.31136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3/c21-17(18-15-6-3-7-16(10-15)20(22)23)12-19-9-8-13-4-1-2-5-14(13)11-19/h1-11H,12H2/p+1