2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetate Formula: C12H15ClN2O2 MolecularWeight: 254.7127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O2/c13-10-2-1-3-11(8-10)15-6-4-14(5-7-15)9-12(16)17/h1-3,8H,4-7,9H2,(H,16,17)