[(1S)-1-[2-fluoranyl-6-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-fluoranyl-6-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-fluoro-6-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-fluoro-6-(4-methyl-1-piperazin-4-iumyl)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-fluoro-6-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-fluoro-6-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]ammonium Formula: C13H22FN3+2 MolecularWeight: 239.332283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1F)N2CC[NH+](CC2)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=C(C=CC=C1F)N2CC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C13H20FN3/c1-10(15)13-11(14)4-3-5-12(13)17-8-6-16(2)7-9-17/h3-5,10H,6-9,15H2,1-2H3/p+2/t10-/m0/s1