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

Systemtic Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 3-[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O3/c21-17-5-2-6-18(15-17)23-11-9-22(10-12-23)8-3-13-26-19-7-1-4-16(14-19)20(24)25/h1-2,4-7,14-15H,3,8-13H2,(H,24,25)