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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)-1-phenylpyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenyl-3-pyrroline-2,5-quinone Formula: C28H23Cl2N4O3+ MolecularWeight: 534.41322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22Cl2N4O3/c1-3-8-22-23(27(36)34(31-22)19-12-13-20(29)21(30)15-19)24-25(32-14-7-9-17(2)16-32)28(37)33(26(24)35)18-10-5-4-6-11-18/h4-7,9-16H,3,8H2,1-2H3/p+1