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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)C

Isomeric SMILES

CCC1=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)C

InChI

InChI=1S/C26H28N4O3/c1-6-20-21(25(32)30(27-20)19-10-8-7-9-11-19)22-23(28-13-12-17(4)18(5)15-28)26(33)29(24(22)31)14-16(2)3/h7-13,15-16H,6,14H2,1-5H3/p+1