3-[2-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C26H26ClN4O4+ MolecularWeight: 493.96204

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H25ClN4O4/c1-16(2)22-20(25(33)31(28-22)18-9-6-8-17(27)14-18)21-23(29-11-4-3-5-12-29)26(34)30(24(21)32)15-19-10-7-13-35-19/h3-6,8-9,11-12,14,16,19H,7,10,13,15H2,1-2H3/p+1