(3S)-3-azaniumyl-4-(4-bromophenyl)butanoate

Systemtic Name: (3S)-3-azaniumyl-4-(4-bromophenyl)butanoate Openeye Name: (3S)-3-azaniumyl-4-(4-bromophenyl)butanoate CAS Name: (3S)-3-ammonio-4-(4-bromophenyl)butanoate IUPAC Name: (3S)-3-azaniumyl-4-(4-bromophenyl)butanoate Traditional Name: (3S)-3-ammonio-4-(4-bromophenyl)butyrate Formula: C10H12BrNO2 MolecularWeight: 258.11178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(=O)[O-])[NH3+])Br

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](CC(=O)[O-])[NH3+])Br

InChI

InChI=1S/C10H12BrNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1