3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H21Cl2N4O4+ MolecularWeight: 536.38604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC)[N+]5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC)[N+]5=CC=CC=C5

InChI

InChI=1S/C27H20Cl2N4O4/c1-3-21-22(26(35)33(30-21)17-9-12-19(28)20(29)15-17)23-24(31-13-5-4-6-14-31)27(36)32(25(23)34)16-7-10-18(37-2)11-8-16/h4-15H,3H2,1-2H3/p+1