(3S)-3-azaniumyl-3-(3-bromophenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-bromophenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-bromophenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-bromophenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-bromophenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-bromophenyl)propionate Formula: C9H10BrNO2 MolecularWeight: 244.0852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1