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

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoranyl-2-methyl-phenyl]butan-1-one Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoro-2-methyl-phenyl]butan-1-one CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)-5-fluoro-2-methylphenyl]-1-butanone IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoro-2-methylphenyl]butan-1-one Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-5-fluoro-2-methyl-phenyl]butan-1-one Formula: C17H26FN2O+ MolecularWeight: 293.399543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN2O/c1-4-6-17(21)14-12-15(18)16(11-13(14)3)20-9-7-19(5-2)8-10-20/h11-12H,4-10H2,1-3H3/p+1