3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-cyclohexyl-4-pyridin-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-pyridin-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-pyridin-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-(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-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-cyclohexyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H28ClN4O3+ MolecularWeight: 491.98922

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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

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

InChI

InChI=1S/C27H27ClN4O3/c1-2-10-21-22(26(34)32(29-21)20-14-9-11-18(28)17-20)23-24(30-15-7-4-8-16-30)27(35)31(25(23)33)19-12-5-3-6-13-19/h4,7-9,11,14-17,19H,2-3,5-6,10,12-13H2,1H3/p+1