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

Systemtic Name: 1-(3-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(3-methyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H24ClN4O3+ MolecularWeight: 499.96816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C28H23ClN4O3/c1-3-9-22-23(27(35)33(30-22)20-12-5-4-6-13-20)24-25(31-15-8-10-18(2)17-31)28(36)32(26(24)34)21-14-7-11-19(29)16-21/h4-8,10-17H,3,9H2,1-2H3/p+1