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

Systemtic Name: 2-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 2-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethoxy]benzoate CAS Name: 2-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethoxy]benzoate IUPAC Name: 2-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Traditional Name: 2-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethoxy]benzoate Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCOC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCOC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C20H24N2O3/c1-16-5-4-6-17(15-16)22-11-9-21(10-12-22)13-14-25-19-8-3-2-7-18(19)20(23)24/h2-8,15H,9-14H2,1H3,(H,23,24)