1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoranyl-2-methyl-phenyl]propan-1-one

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoranyl-2-methyl-phenyl]propan-1-one Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoro-2-methyl-phenyl]propan-1-one CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)-5-fluoro-2-methylphenyl]-1-propanone IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoro-2-methylphenyl]propan-1-one Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoro-2-methyl-phenyl]propan-1-one Formula: C16H24FN2O+ MolecularWeight: 279.372963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1C)N2CC[NH+](CC2)CC)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1C)N2CC[NH+](CC2)CC)F

InChI

InChI=1S/C16H23FN2O/c1-4-16(20)13-11-14(17)15(10-12(13)3)19-8-6-18(5-2)7-9-19/h10-11H,4-9H2,1-3H3/p+1