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

Systemtic Name: 4-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 4-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 4-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[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=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

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