(2S)-1-[2-[[2-hydroxyethyl(methyl)azaniumyl]methyl]phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-[[2-hydroxyethyl(methyl)azaniumyl]methyl]phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-[[2-hydroxyethyl(methyl)ammonio]methyl]benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-[[2-hydroxyethyl(methyl)ammonio]methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-[[2-hydroxyethyl(methyl)azaniumyl]methyl]benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[[2-hydroxyethyl(methyl)ammonio]methyl]benzoyl]pyrrolidine-2-carboxylate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)CC1=CC=CC=C1C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

C[NH+](CCO)CC1=CC=CC=C1C(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-17(9-10-19)11-12-5-2-3-6-13(12)15(20)18-8-4-7-14(18)16(21)22/h2-3,5-6,14,19H,4,7-11H2,1H3,(H,21,22)/t14-/m0/s1