2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 2-(4-p-anisylpiperazin-4-ium-1-yl)benzoate Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H22N2O3/c1-24-16-8-6-15(7-9-16)14-20-10-12-21(13-11-20)18-5-3-2-4-17(18)19(22)23/h2-9H,10-14H2,1H3,(H,22,23)