2-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 2-(4-m-anisylpiperazin-4-ium-1-yl)benzoate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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