3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C23H21Cl2N4O4+ MolecularWeight: 488.34324

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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)CCOC)[N+]4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)CCOC)[N+]4=CC=CC=C4

InChI

InChI=1S/C23H20Cl2N4O4/c1-3-17-18(22(31)29(26-17)14-7-8-15(24)16(25)13-14)19-20(27-9-5-4-6-10-27)23(32)28(21(19)30)11-12-33-2/h4-10,13H,3,11-12H2,1-2H3/p+1