3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Openeye Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(tetrahydrofuran-2-ylmethyl)pyrrole-2,5-dione CAS Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methyl-1-pyridin-1-iumyl)-1-(2-oxolanylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Traditional Name: 3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C26H27N4O4+ MolecularWeight: 459.51698

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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)CC4CCCO4)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C26H26N4O4/c1-3-20-21(25(32)30(27-20)18-10-5-4-6-11-18)22-23(28-13-7-9-17(2)15-28)26(33)29(24(22)31)16-19-12-8-14-34-19/h4-7,9-11,13,15,19H,3,8,12,14,16H2,1-2H3/p+1