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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3/c1-14-6-7-17(15(2)10-14)18(13-21-8-4-3-5-9-21)22-12-16(20(24)25)11-19(22)23/h6-7,10,16,18H,3-5,8-9,11-13H2,1-2H3,(H,24,25)/t16-,18+/m1/s1