1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]butan-1-one

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]butan-1-one Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]butan-1-one CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-1-butanone IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]butan-1-one Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]butan-1-one Formula: C16H24FN2O+ MolecularWeight: 279.372963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC)F

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC)F

InChI

InChI=1S/C16H23FN2O/c1-3-5-16(20)13-6-7-15(14(17)12-13)19-10-8-18(4-2)9-11-19/h6-7,12H,3-5,8-11H2,1-2H3/p+1