(2S)-3-methyl-2-[methyl(2-pyridin-2-ylethyl)azaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[methyl(2-pyridin-2-ylethyl)azaniumyl]butanoate Openeye Name: (2S)-3-methyl-2-[methyl-[2-(2-pyridyl)ethyl]ammonio]butanoate CAS Name: (2S)-3-methyl-2-[methyl-[2-(2-pyridinyl)ethyl]ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[methyl(2-pyridin-2-ylethyl)azaniumyl]butanoate Traditional Name: (2S)-3-methyl-2-[methyl-[2-(2-pyridyl)ethyl]ammonio]butyrate Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+](C)CCC1=CC=CC=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+](C)CCC1=CC=CC=N1

InChI

InChI=1S/C13H20N2O2/c1-10(2)12(13(16)17)15(3)9-7-11-6-4-5-8-14-11/h4-6,8,10,12H,7,9H2,1-3H3,(H,16,17)/t12-/m0/s1