2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]benzoate Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-25-16-7-8-19(26-2)15(13-16)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20(23)24/h3-8,13H,9-12,14H2,1-2H3,(H,23,24)