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

Systemtic Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 2-[3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzoate Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCCOC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCCOC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C21H26N2O4/c1-26-20-10-5-3-8-18(20)23-14-12-22(13-15-23)11-6-16-27-19-9-4-2-7-17(19)21(24)25/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)