(3S)-3-azaniumyl-3-[1-(4-bromophenyl)pyrrol-3-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[1-(4-bromophenyl)pyrrol-3-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[1-(4-bromophenyl)pyrrol-3-yl]propanoate CAS Name: (3S)-3-ammonio-3-[1-(4-bromophenyl)-3-pyrrolyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[1-(4-bromophenyl)pyrrol-3-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[1-(4-bromophenyl)pyrrol-3-yl]propionate Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CC(=C2)C(CC(=O)[O-])[NH3+])Br

Isomeric SMILES

C1=CC(=CC=C1N2C=CC(=C2)[C@H](CC(=O)[O-])[NH3+])Br

InChI

InChI=1S/C13H13BrN2O2/c14-10-1-3-11(4-2-10)16-6-5-9(8-16)12(15)7-13(17)18/h1-6,8,12H,7,15H2,(H,17,18)/t12-/m0/s1