(3S)-3-azaniumyl-3-(3-bromanyl-4-ethyl-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-bromanyl-4-ethyl-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-bromo-4-ethyl-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-bromo-4-ethylphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-bromo-4-ethylphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-bromo-4-ethyl-phenyl)propionate Formula: C11H14BrNO2 MolecularWeight: 272.13836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])Br

Isomeric SMILES

CCC1=C(C=C(C=C1)[C@H](CC(=O)[O-])[NH3+])Br

InChI

InChI=1S/C11H14BrNO2/c1-2-7-3-4-8(5-9(7)12)10(13)6-11(14)15/h3-5,10H,2,6,13H2,1H3,(H,14,15)/t10-/m0/s1