4-[[(5-bromanyl-2-methoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(5-bromanyl-2-methoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(5-bromo-2-methoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(5-bromo-2-methoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(5-bromo-2-methoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(5-bromo-2-methoxy-benzyl)ammonio]methyl]benzoate Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H16BrNO3/c1-21-15-7-6-14(17)8-13(15)10-18-9-11-2-4-12(5-3-11)16(19)20/h2-8,18H,9-10H2,1H3,(H,19,20)