(Z)-2-[2,5-dimethyl-4-(phenylmethyl)pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethenolate

Systemtic Name: (Z)-2-[2,5-dimethyl-4-(phenylmethyl)pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethenolate Openeye Name: (Z)-2-(4-benzyl-2,5-dimethyl-pyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethenolate CAS Name: (Z)-2-[2,5-dimethyl-4-(phenylmethyl)-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethenolate IUPAC Name: (Z)-2-(4-benzyl-2,5-dimethylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethenolate Traditional Name: (Z)-2-(4-benzyl-2,5-dimethyl-pyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethenolate Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1)CC2=CC=CC=C2)C)C=C(C3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=[N+](C=C(C(=C1)CC2=CC=CC=C2)C)/C=C(/C3=CC=C(C=C3)[N+](=O)[O-])\[O-]

InChI

InChI=1S/C22H20N2O3/c1-16-14-23(15-22(25)19-8-10-21(11-9-19)24(26)27)17(2)12-20(16)13-18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3/b22-15-