3-[2-(2,4-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C31H31N4O3+ MolecularWeight: 507.60284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C)C)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)C)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C)C)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)C)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C31H30N4O3/c1-6-8-24-26(30(37)35(32-24)25-15-12-20(3)17-22(25)5)27-28(33-16-7-9-21(4)18-33)31(38)34(29(27)36)23-13-10-19(2)11-14-23/h7,9-18H,6,8H2,1-5H3/p+1