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

Systemtic Name: 1-(3-chlorophenyl)-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C25H18ClN4O3+ MolecularWeight: 457.88842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

Isomeric SMILES

CC1=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

InChI

InChI=1S/C25H17ClN4O3/c1-16-20(24(32)30(27-16)18-10-4-2-5-11-18)21-22(28-13-6-3-7-14-28)25(33)29(23(21)31)19-12-8-9-17(26)15-19/h2-15H,1H3/p+1