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

Systemtic Name: 4-[[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-bromo-5-ethoxy-4-methoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-bromo-5-ethoxy-4-methoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-bromo-5-ethoxy-4-methoxy-benzyl)ammonio]methyl]benzoate Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO4/c1-3-24-16-9-13(8-15(19)17(16)23-2)11-20-10-12-4-6-14(7-5-12)18(21)22/h4-9,20H,3,10-11H2,1-2H3,(H,21,22)