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

Systemtic Name: 4-[[2-(4-methoxyphenyl)ethylazaniumyl]methyl]benzoate Openeye Name: 4-[[2-(4-methoxyphenyl)ethylammonio]methyl]benzoate CAS Name: 4-[[2-(4-methoxyphenyl)ethylammonio]methyl]benzoate IUPAC Name: 4-[[2-(4-methoxyphenyl)ethylazaniumyl]methyl]benzoate Traditional Name: 4-[[2-(4-methoxyphenyl)ethylammonio]methyl]benzoate Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3/c1-21-16-8-4-13(5-9-16)10-11-18-12-14-2-6-15(7-3-14)17(19)20/h2-9,18H,10-12H2,1H3,(H,19,20)