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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-(tetrahydrofuran-2-ylmethyl)pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)-1-(2-oxolanylmethyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C26H25Cl2N4O4+ MolecularWeight: 528.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24Cl2N4O4/c1-3-20-21(25(34)32(29-20)16-8-9-18(27)19(28)12-16)22-23(30-10-4-6-15(2)13-30)26(35)31(24(22)33)14-17-7-5-11-36-17/h4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3/p+1