(3R)-1-[[4-[2-(dimethylazaniumyl)ethoxy]phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[[4-[2-(dimethylazaniumyl)ethoxy]phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[4-[2-(dimethylammonio)ethoxy]phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[4-[2-(dimethylammonio)ethoxy]phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[4-[2-(dimethylazaniumyl)ethoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[4-[2-(dimethylammonio)ethoxy]benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)CN2C[C@@H](CC2=O)C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-17(2)7-8-22-14-5-3-12(4-6-14)10-18-11-13(16(20)21)9-15(18)19/h3-6,13H,7-11H2,1-2H3,(H,20,21)/t13-/m1/s1