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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methoxy]benzoate Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methoxy]benzoate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methoxy]benzoate IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methoxy]benzoate Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methoxy]benzoate Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1COC2=CC=C(C=C2)C(=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1COC2=CC=C(C=C2)C(=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O3/c19-15-2-1-3-16(12-15)21-10-8-20(9-11-21)13-24-17-6-4-14(5-7-17)18(22)23/h1-7,12H,8-11,13H2,(H,22,23)