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

Systemtic Name: 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrole-2,5-dione CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-oxolanylmethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(oxolan-2-ylmethyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-4-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C24H23N4O4+ MolecularWeight: 431.46382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4CCCO4)[N+]5=CC=CC=C5

InChI

InChI=1S/C24H22N4O4/c1-16-19(23(30)28(25-16)17-9-4-2-5-10-17)20-21(26-12-6-3-7-13-26)24(31)27(22(20)29)15-18-11-8-14-32-18/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3/p+1