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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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