2-isoquinolin-2-ium-2-yl-1-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C18H15N2O4+ MolecularWeight: 323.3227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N2O4/c1-24-18-7-6-14(10-16(18)20(22)23)17(21)12-19-9-8-13-4-2-3-5-15(13)11-19/h2-11H,12H2,1H3/q+1