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

Systemtic Name: 1-cyclohexyl-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-4-(4-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C26H27N4O3+ MolecularWeight: 443.51758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H26N4O3/c1-17-13-15-28(16-14-17)23-22(24(31)29(26(23)33)19-9-5-3-6-10-19)21-18(2)27-30(25(21)32)20-11-7-4-8-12-20/h4,7-8,11-16,19H,3,5-6,9-10H2,1-2H3/p+1