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

Systemtic Name: 3-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Openeye Name: 3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)-1-(tetrahydrofuran-2-ylmethyl)pyrrole-2,5-dione CAS Name: 3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(4-methyl-1-pyridin-1-iumyl)-1-(2-oxolanylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Traditional Name: 3-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-4-(4-methylpyridin-1-ium-1-yl)-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C25H25N4O4+ MolecularWeight: 445.4904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)CC3CCCO3)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)CC3CCCO3)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O4/c1-16-10-12-28(13-11-16)22-20(24(31)29(25(22)32)15-18-9-6-14-33-18)19-21(26-27(2)23(19)30)17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,6,9,14-15H2,1-2H3/p+1