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

Systemtic Name: 1-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butan-1-one Openeye Name: 1-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butan-1-one CAS Name: 1-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-butanone IUPAC Name: 1-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butan-1-one Traditional Name: 1-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butan-1-one Formula: C15H22FN2O+ MolecularWeight: 265.346383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN2O/c1-3-4-15(19)12-5-6-14(13(16)11-12)18-9-7-17(2)8-10-18/h5-6,11H,3-4,7-10H2,1-2H3/p+1