1-(4-methoxy-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one Openeye Name: 1-(4-methoxy-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one CAS Name: 1-(4-methoxy-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-1-propanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one Traditional Name: 1-(4-methoxy-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C(C)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N2O4/c1-11-5-4-8-17(10-11)12(2)16(19)13-6-7-15(22-3)14(9-13)18(20)21/h4-10,12H,1-3H3/q+1