(2S)-4-methyl-2-[(phenylmethyl)azaniumyl]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(phenylmethyl)azaniumyl]pentanoate Openeye Name: (2S)-2-(benzylammonio)-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[(phenylmethyl)ammonio]pentanoate IUPAC Name: (2S)-2-(benzylazaniumyl)-4-methylpentanoate Traditional Name: (2S)-2-(benzylammonio)-4-methyl-valerate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-10(2)8-12(13(15)16)14-9-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)/t12-/m0/s1