(3S)-3-azaniumyl-3-(4-bromanyl-2-methyl-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(4-bromanyl-2-methyl-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-bromo-2-methyl-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-bromo-2-methylphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-bromo-2-methylphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-bromo-2-methyl-phenyl)propionate Formula: C10H12BrNO2 MolecularWeight: 258.11178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C10H12BrNO2/c1-6-4-7(11)2-3-8(6)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m0/s1