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

Systemtic Name: 3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H30ClN4O3+ MolecularWeight: 506.0158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C28H29ClN4O3/c1-3-9-22-23(27(35)33(30-22)21-14-7-11-19(29)16-21)24-25(31-15-8-10-18(2)17-31)28(36)32(26(24)34)20-12-5-4-6-13-20/h7-8,10-11,14-17,20H,3-6,9,12-13H2,1-2H3/p+1