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

Systemtic Name: 1-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone Openeye Name: 1-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone CAS Name: 1-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone Traditional Name: 1-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone Formula: C13H18FN2O+ MolecularWeight: 237.293223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O/c1-10(17)11-3-4-13(12(14)9-11)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3/p+1