(2S)-2-[(3-bromophenyl)methylazaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(3-bromophenyl)methylazaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(3-bromophenyl)methylammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(3-bromophenyl)methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(3-bromophenyl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(3-bromobenzyl)ammonio]-3-methyl-butyrate Formula: C12H16BrNO2 MolecularWeight: 286.16494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO2/c1-8(2)11(12(15)16)14-7-9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-/m0/s1