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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-oxolanylmethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C26H25Cl2N4O4+ MolecularWeight: 528.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC=C5

InChI

InChI=1S/C26H24Cl2N4O4/c1-15(2)22-20(25(34)32(29-22)16-8-9-18(27)19(28)13-16)21-23(30-10-4-3-5-11-30)26(35)31(24(21)33)14-17-7-6-12-36-17/h3-5,8-11,13,15,17H,6-7,12,14H2,1-2H3/p+1