2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[4-(3-methylphenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C19H16N3O3+ MolecularWeight: 334.34864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N3O3/c1-14-4-2-5-15(10-14)18-8-9-21(13-20-18)12-19(23)16-6-3-7-17(11-16)22(24)25/h2-11,13H,12H2,1H3/q+1