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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3CCCO3)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3CCCO3)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

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