4-[[(2,3-dimethoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2,3-dimethoxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2,3-dimethoxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2,3-dimethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2,3-dimethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[(o-veratrylammonio)methyl]benzoate Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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