4-[[(3,4,5-trimethoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3,4,5-trimethoxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3,4,5-trimethoxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3,4,5-trimethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3,4,5-trimethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3,4,5-trimethoxybenzyl)ammonio]methyl]benzoate Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H21NO5/c1-22-15-8-13(9-16(23-2)17(15)24-3)11-19-10-12-4-6-14(7-5-12)18(20)21/h4-9,19H,10-11H2,1-3H3,(H,20,21)