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

Systemtic Name: (2S)-4-methyl-2-[(3-methylphenyl)methylazaniumyl]pentanoate Openeye Name: (2S)-4-methyl-2-(m-tolylmethylammonio)pentanoate CAS Name: (2S)-4-methyl-2-[(3-methylphenyl)methylammonio]pentanoate IUPAC Name: (2S)-4-methyl-2-[(3-methylphenyl)methylazaniumyl]pentanoate Traditional Name: (2S)-4-methyl-2-[(3-methylbenzyl)ammonio]valerate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-10(2)7-13(14(16)17)15-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,15H,7,9H2,1-3H3,(H,16,17)/t13-/m0/s1