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

Systemtic Name: 2-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 2-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 2-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 2-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 2-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propoxy]benzoate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCOC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCOC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C21H26N2O3/c1-17-6-4-7-18(16-17)23-13-11-22(12-14-23)10-5-15-26-20-9-3-2-8-19(20)21(24)25/h2-4,6-9,16H,5,10-15H2,1H3,(H,24,25)