(2S,6S)-1-(3-chloranyl-4-fluoranyl-phenyl)-2,6-dimethyl-piperazin-4-ium

Systemtic Name: (2S,6S)-1-(3-chloranyl-4-fluoranyl-phenyl)-2,6-dimethyl-piperazin-4-ium Openeye Name: (2S,6S)-1-(3-chloro-4-fluoro-phenyl)-2,6-dimethyl-piperazin-4-ium CAS Name: (2S,6S)-1-(3-chloro-4-fluorophenyl)-2,6-dimethylpiperazin-4-ium IUPAC Name: (2S,6S)-1-(3-chloro-4-fluorophenyl)-2,6-dimethylpiperazin-4-ium Traditional Name: (2S,6S)-1-(3-chloro-4-fluoro-phenyl)-2,6-dimethyl-piperazin-4-ium Formula: C12H17ClFN2+ MolecularWeight: 243.728183

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(N1C2=CC(=C(C=C2)F)Cl)C

Isomeric SMILES

C[C@H]1C[NH2+]C[C@@H](N1C2=CC(=C(C=C2)F)Cl)C

InChI

InChI=1S/C12H16ClFN2/c1-8-6-15-7-9(2)16(8)10-3-4-12(14)11(13)5-10/h3-5,8-9,15H,6-7H2,1-2H3/p+1/t8-,9-/m0/s1