2-isoquinolin-2-ium-2-yl-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C18H16N3O4+ MolecularWeight: 338.33734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c1-25-15-6-7-16(17(10-15)21(23)24)19-18(22)12-20-9-8-13-4-2-3-5-14(13)11-20/h2-11H,12H2,1H3/p+1