2-[[(2S)-butan-2-yl]-(phenylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[[(2S)-butan-2-yl]-(phenylmethyl)azaniumyl]ethanoate Openeye Name: 2-[benzyl-[(1S)-1-methylpropyl]ammonio]acetate CAS Name: 2-[[(2S)-butan-2-yl]-(phenylmethyl)ammonio]acetate IUPAC Name: 2-[benzyl-[(2S)-butan-2-yl]azaniumyl]acetate Traditional Name: 2-[benzyl-[(1S)-1-methylpropyl]ammonio]acetate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-3-11(2)14(10-13(15)16)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,16)/t11-/m0/s1