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

Systemtic Name: 1-cyclohexyl-3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C27H28N4O3/c1-3-21-22(26(33)31(28-21)20-14-8-5-9-15-20)23-24(29-16-10-11-18(2)17-29)27(34)30(25(23)32)19-12-6-4-7-13-19/h5,8-11,14-17,19H,3-4,6-7,12-13H2,1-2H3/p+1