4-[[[3,5-bis(bromanyl)-4-ethoxy-phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3,5-bis(bromanyl)-4-ethoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3,5-dibromo-4-ethoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3,5-dibromo-4-ethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3,5-dibromo-4-ethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3,5-dibromo-4-ethoxy-benzyl)ammonio]methyl]benzoate Formula: C17H17Br2NO3 MolecularWeight: 443.12978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C17H17Br2NO3/c1-2-23-16-14(18)7-12(8-15(16)19)10-20-9-11-3-5-13(6-4-11)17(21)22/h3-8,20H,2,9-10H2,1H3,(H,21,22)