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

Systemtic Name: 3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propan-2-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-isopropyl-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]-4-(3-methyl-1-pyridin-1-iumyl)-1-propan-2-ylpyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propan-2-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-isopropyl-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C25H26ClN4O3+ MolecularWeight: 465.95194

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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)C(C)C)[N+]4=CC=CC(=C4)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)C(C)C)[N+]4=CC=CC(=C4)C

InChI

InChI=1S/C25H25ClN4O3/c1-5-8-19-20(24(32)30(27-19)18-11-6-10-17(26)13-18)21-22(28-12-7-9-16(4)14-28)25(33)29(15(2)3)23(21)31/h6-7,9-15H,5,8H2,1-4H3/p+1