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

Systemtic Name: 3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3,4-dimethyl-1-pyridin-1-iumyl)-1-(2-methoxyethyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-3-pyrroline-2,5-quinone Formula: C26H28ClN4O4+ MolecularWeight: 495.97792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C2=C(C(=O)N(C2=O)CCOC)C3=C(NN(C3=O)C4=CC(=CC=C4)Cl)C(C)C)C

Isomeric SMILES

CC1=C(C=[N+](C=C1)C2=C(C(=O)N(C2=O)CCOC)C3=C(NN(C3=O)C4=CC(=CC=C4)Cl)C(C)C)C

InChI

InChI=1S/C26H27ClN4O4/c1-15(2)22-20(25(33)31(28-22)19-8-6-7-18(27)13-19)21-23(29-10-9-16(3)17(4)14-29)26(34)30(24(21)32)11-12-35-5/h6-10,13-15H,11-12H2,1-5H3/p+1