1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C30H35N4O3+ MolecularWeight: 499.6239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O3/c1-6-23-25(29(36)34(31-23)24-13-12-18(2)16-20(24)4)26-27(32-15-14-19(3)21(5)17-32)30(37)33(28(26)35)22-10-8-7-9-11-22/h12-17,22H,6-11H2,1-5H3/p+1