4-[[(2-methoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2-methoxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-methoxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2-methoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2-methoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[(o-anisylammonio)methyl]benzoate Formula: C16H17NO3 MolecularWeight: 271.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

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