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

Systemtic Name: 4-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]benzoate Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O2/c1-15-3-2-4-18(13-15)21-11-9-20(10-12-21)14-16-5-7-17(8-6-16)19(22)23/h2-8,13H,9-12,14H2,1H3,(H,22,23)