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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC=C1C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=CC=CC=C1C(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-17(2)10-11-22-14-8-4-3-6-12(14)15(19)18-9-5-7-13(18)16(20)21/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,20,21)/t13-/m0/s1