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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=CC=C3C(=O)[O-]

InChI

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