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

Systemtic Name: (3R)-1-[(1R)-2-(dimethylazaniumyl)-1-(4-methylphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[(1R)-2-(dimethylammonio)-1-(p-tolyl)ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[(1R)-2-(dimethylammonio)-1-(4-methylphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[(1R)-2-(dimethylazaniumyl)-1-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[(1R)-2-(dimethylammonio)-1-(p-tolyl)ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+](C)C)N2CC(CC2=O)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+](C)C)N2C[C@@H](CC2=O)C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-11-4-6-12(7-5-11)14(10-17(2)3)18-9-13(16(20)21)8-15(18)19/h4-7,13-14H,8-10H2,1-3H3,(H,20,21)/t13-,14+/m1/s1