[(1S)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-5-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-5-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-5-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-(4-ethyl-1-piperazin-4-iumyl)-5-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-5-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-5-fluoro-phenyl]ethyl]ammonium Formula: C14H24FN3+2 MolecularWeight: 253.358863

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)F)C(C)[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)F)[C@H](C)[NH3+]

InChI

InChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)14-5-4-12(15)10-13(14)11(2)16/h4-5,10-11H,3,6-9,16H2,1-2H3/p+2/t11-/m0/s1