methyl 2,4-dicyclohexyl-4-(4-methylphenyl)-2-oxidanyl-1-oxidanylidene-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: methyl 2,4-dicyclohexyl-4-(4-methylphenyl)-2-oxidanyl-1-oxidanylidene-pyrrolidin-1-ium-3-carboxylate Openeye Name: methyl 2,4-dicyclohexyl-2-hydroxy-1-oxo-4-(p-tolyl)pyrrolidin-1-ium-3-carboxylate CAS Name: 2,4-dicyclohexyl-2-hydroxy-4-(4-methylphenyl)-1-oxo-3-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2,4-dicyclohexyl-2-hydroxy-4-(4-methylphenyl)-1-oxopyrrolidin-1-ium-3-carboxylate Traditional Name: 2,4-dicyclohexyl-2-hydroxy-1-keto-4-(p-tolyl)pyrrolidin-1-ium-3-carboxylic acid methyl ester Formula: C25H36NO4+ MolecularWeight: 414.55764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C[N+](=O)C(C2C(=O)OC)(C3CCCCC3)O)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2(C[N+](=O)C(C2C(=O)OC)(C3CCCCC3)O)C4CCCCC4

InChI

InChI=1S/C25H36NO4/c1-18-13-15-20(16-14-18)24(19-9-5-3-6-10-19)17-26(29)25(28,22(24)23(27)30-2)21-11-7-4-8-12-21/h13-16,19,21-22,28H,3-12,17H2,1-2H3/q+1