1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-isobutyl-3-(4-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(2-methylpropyl)-3-(4-methyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-isobutyl-3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-4-(4-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C26H29N4O3+ MolecularWeight: 445.53346

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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)CC(C)C)[N+]4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=C(C=C4)C

InChI

InChI=1S/C26H28N4O3/c1-5-9-20-21(25(32)30(27-20)19-10-7-6-8-11-19)22-23(28-14-12-18(4)13-15-28)26(33)29(24(22)31)16-17(2)3/h6-8,10-15,17H,5,9,16H2,1-4H3/p+1