1-cyclohexyl-3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-cyclohexyl-3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-[2-(3,4-dichlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(3,4-dichlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H29Cl2N4O3+ MolecularWeight: 540.46086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28Cl2N4O3/c1-16(2)24-22(27(36)34(31-24)19-11-12-20(29)21(30)14-19)23-25(32-13-7-8-17(3)15-32)28(37)33(26(23)35)18-9-5-4-6-10-18/h7-8,11-16,18H,4-6,9-10H2,1-3H3/p+1