5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]pentanoate Openeye Name: 5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]pentanoate CAS Name: 5-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]pentanoate IUPAC Name: 5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]valerate Formula: C15H21ClN2O2 MolecularWeight: 296.79244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O2/c16-13-4-3-5-14(12-13)18-10-8-17(9-11-18)7-2-1-6-15(19)20/h3-5,12H,1-2,6-11H2,(H,19,20)