(2S)-1-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-[2-(dimethylammonio)ethoxy]benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-[2-(dimethylammonio)ethoxy]phenyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-[2-(dimethylazaniumyl)ethoxy]benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[2-(dimethylammonio)ethoxy]benzoyl]pyrrolidine-2-carboxylate Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-17(2)10-11-22-13-7-5-12(6-8-13)15(19)18-9-3-4-14(18)16(20)21/h5-8,14H,3-4,9-11H2,1-2H3,(H,20,21)/t14-/m0/s1