1-[(4-fluorophenyl)methyl]-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-[(4-fluorophenyl)methyl]-3-(3-methyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(4-fluorobenzyl)-3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C29H26FN4O3+ MolecularWeight: 497.540143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=C(C=C4)F)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=C(C=C4)F)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C29H25FN4O3/c1-3-8-23-24(28(36)34(31-23)22-10-5-4-6-11-22)25-26(32-16-7-9-19(2)17-32)29(37)33(27(25)35)18-20-12-14-21(30)15-13-20/h4-7,9-17H,3,8,18H2,1-2H3/p+1