4-[(4-bromophenyl)methylazaniumyl]butanoate

Systemtic Name: 4-[(4-bromophenyl)methylazaniumyl]butanoate Openeye Name: 4-[(4-bromophenyl)methylammonio]butanoate CAS Name: 4-[(4-bromophenyl)methylammonio]butanoate IUPAC Name: 4-[(4-bromophenyl)methylazaniumyl]butanoate Traditional Name: 4-[(4-bromobenzyl)ammonio]butyrate Formula: C11H14BrNO2 MolecularWeight: 272.13836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO2/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)