[(1S)-1-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-fluoro-4-(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=CC(=C(C=C1)N2CC[NH+](CC2)C)F)[NH3+]

Isomeric SMILES

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

InChI

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