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

Systemtic Name: (3R)-1-[(1R)-1-(4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[(1R)-2-(4-methylpiperidin-1-ium-1-yl)-1-(p-tolyl)ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[(1R)-1-(4-methylphenyl)-2-(4-methyl-1-piperidin-1-iumyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[(1R)-1-(4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[(1R)-2-(4-methylpiperidin-1-ium-1-yl)-1-(p-tolyl)ethyl]pyrrolidine-3-carboxylate Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C2=CC=C(C=C2)C)N3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](C2=CC=C(C=C2)C)N3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C20H28N2O3/c1-14-3-5-16(6-4-14)18(13-21-9-7-15(2)8-10-21)22-12-17(20(24)25)11-19(22)23/h3-6,15,17-18H,7-13H2,1-2H3,(H,24,25)/t17-,18+/m1/s1