(3R)-1-[(1R)-1-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[(1R)-1-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-5-oxo-1-[(1R)-2-piperidin-1-ium-1-yl-1-(p-tolyl)ethyl]pyrrolidine-3-carboxylate CAS Name: (3R)-1-[(1R)-1-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[(1R)-1-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[(1R)-2-piperidin-1-ium-1-yl-1-(p-tolyl)ethyl]pyrrolidine-3-carboxylate Formula: C19H26N2O3 MolecularWeight: 330.42134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCCCC2)N3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCCCC2)N3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C19H26N2O3/c1-14-5-7-15(8-6-14)17(13-20-9-3-2-4-10-20)21-12-16(19(23)24)11-18(21)22/h5-8,16-17H,2-4,9-13H2,1H3,(H,23,24)/t16-,17+/m1/s1