(2S)-1-[2-methyl-2-[methyl-(phenylmethyl)azaniumyl]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-methyl-2-[methyl-(phenylmethyl)azaniumyl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-[benzyl(methyl)ammonio]-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-methyl-2-[methyl-(phenylmethyl)ammonio]-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-[benzyl(methyl)azaniumyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[benzyl(methyl)ammonio]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCC1C(=O)[O-])[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)N1CCC[C@H]1C(=O)[O-])[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3/c1-17(2,18(3)12-13-8-5-4-6-9-13)16(22)19-11-7-10-14(19)15(20)21/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,20,21)/t14-/m0/s1