2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methoxy]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)COC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)COC3=CC=CC=C3C(=O)[O-]

InChI

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