(2S)-3-methyl-2-[(2-methylphenyl)methylazaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[(2-methylphenyl)methylazaniumyl]butanoate Openeye Name: (2S)-3-methyl-2-(o-tolylmethylammonio)butanoate CAS Name: (2S)-3-methyl-2-[(2-methylphenyl)methylammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[(2-methylphenyl)methylazaniumyl]butanoate Traditional Name: (2S)-3-methyl-2-[(2-methylbenzyl)ammonio]butyrate Formula: C13H19NO2 MolecularWeight: 221.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]C(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH2+][C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C13H19NO2/c1-9(2)12(13(15)16)14-8-11-7-5-4-6-10(11)3/h4-7,9,12,14H,8H2,1-3H3,(H,15,16)/t12-/m0/s1