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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[4-(2,4-dimethylphenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C20H18N3O3+ MolecularWeight: 348.37522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3O3/c1-14-6-7-18(15(2)10-14)19-8-9-22(13-21-19)12-20(24)16-4-3-5-17(11-16)23(25)26/h3-11,13H,12H2,1-2H3/q+1