4-[(3-bromophenyl)methylazaniumyl]butanoate

Systemtic Name: 4-[(3-bromophenyl)methylazaniumyl]butanoate Openeye Name: 4-[(3-bromophenyl)methylammonio]butanoate CAS Name: 4-[(3-bromophenyl)methylammonio]butanoate IUPAC Name: 4-[(3-bromophenyl)methylazaniumyl]butanoate Traditional Name: 4-[(3-bromobenzyl)ammonio]butyrate Formula: C11H14BrNO2 MolecularWeight: 272.13836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO2/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(14)15/h1,3-4,7,13H,2,5-6,8H2,(H,14,15)