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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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