(2S)-3-methyl-2-[(4-methylphenyl)methylazaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)methylazaniumyl]butanoate Openeye Name: (2S)-3-methyl-2-(p-tolylmethylammonio)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)methylammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)methylazaniumyl]butanoate Traditional Name: (2S)-3-methyl-2-[(4-methylbenzyl)ammonio]butyrate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]C(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+][C@@H](C(C)C)C(=O)[O-]

InChI

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