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

Systemtic Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-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(=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)[O-]

InChI

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