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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-(2-methoxyethyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C24H23Cl2N4O4+ MolecularWeight: 502.36982

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

Isomeric SMILES

CCCC1=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/C24H22Cl2N4O4/c1-3-7-18-19(23(32)30(27-18)15-8-9-16(25)17(26)14-15)20-21(28-10-5-4-6-11-28)24(33)29(22(20)31)12-13-34-2/h4-6,8-11,14H,3,7,12-13H2,1-2H3/p+1