4-[[(3-bromanyl-4-ethoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-bromanyl-4-ethoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-bromo-4-ethoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-bromo-4-ethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-bromo-4-ethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-bromo-4-ethoxy-benzyl)ammonio]methyl]benzoate Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C17H18BrNO3/c1-2-22-16-8-5-13(9-15(16)18)11-19-10-12-3-6-14(7-4-12)17(20)21/h3-9,19H,2,10-11H2,1H3,(H,20,21)