3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(phenylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(phenylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(phenylmethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C26H21N4O3+ MolecularWeight: 437.46994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC=C5

InChI

InChI=1S/C26H20N4O3/c1-18-21(25(32)30(27-18)20-13-7-3-8-14-20)22-23(28-15-9-4-10-16-28)26(33)29(24(22)31)17-19-11-5-2-6-12-19/h2-16H,17H2,1H3/p+1