3-[(4-bromophenyl)methylazaniumyl]propanoate

Systemtic Name: 3-[(4-bromophenyl)methylazaniumyl]propanoate Openeye Name: 3-[(4-bromophenyl)methylammonio]propanoate CAS Name: 3-[(4-bromophenyl)methylammonio]propanoate IUPAC Name: 3-[(4-bromophenyl)methylazaniumyl]propanoate Traditional Name: 3-[(4-bromobenzyl)ammonio]propionate Formula: C10H12BrNO2 MolecularWeight: 258.11178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCC(=O)[O-])Br

InChI

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