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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propionate Formula: C13H17ClN2O2 MolecularWeight: 268.73928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H17ClN2O2/c14-11-2-1-3-12(10-11)16-8-6-15(7-9-16)5-4-13(17)18/h1-3,10H,4-9H2,(H,17,18)