4-[[(3-methoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-methoxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-methoxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-methoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-methoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[(m-anisylammonio)methyl]benzoate Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3/c1-20-15-4-2-3-13(9-15)11-17-10-12-5-7-14(8-6-12)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)