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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzoate Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O2/c19-16-2-1-3-17(12-16)21-10-8-20(9-11-21)13-14-4-6-15(7-5-14)18(22)23/h1-7,12H,8-11,13H2,(H,22,23)