4-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2,4-dimethoxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2,4-dimethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2,4-dimethoxybenzyl)ammonio]methyl]benzoate Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-21-15-8-7-14(16(9-15)22-2)11-18-10-12-3-5-13(6-4-12)17(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20)