2-chloranyl-2,2-bis(fluoranyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-chloranyl-2,2-bis(fluoranyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2,2-difluoro-ethanone CAS Name: 2-chloro-2,2-difluoro-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2,2-difluoroethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-2,2-difluoro-ethanone Formula: C13H16ClF2N2O+ MolecularWeight: 289.728746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClF2N2O/c14-13(15,16)12(19)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5H,6-10H2/p+1