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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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