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

Systemtic Name: (3R)-1-[(1R)-2-(diethylazaniumyl)-1-(4-methylphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[(1R)-2-(diethylammonio)-1-(p-tolyl)ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[(1R)-2-(diethylammonio)-1-(4-methylphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[(1R)-2-(diethylazaniumyl)-1-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[(1R)-2-(diethylammonio)-1-(p-tolyl)ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-4-19(5-2)12-16(14-8-6-13(3)7-9-14)20-11-15(18(22)23)10-17(20)21/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,22,23)/t15-,16+/m1/s1