4-[[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-allyloxy-3-bromo-5-methoxy-benzyl)ammonio]methyl]benzoate Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-3-8-25-18-16(20)9-14(10-17(18)24-2)12-21-11-13-4-6-15(7-5-13)19(22)23/h3-7,9-10,21H,1,8,11-12H2,2H3,(H,22,23)