1-[3-fluoranyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethanone Openeye Name: 1-[3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethanone CAS Name: 1-[3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethanone Traditional Name: 1-[3-fluoro-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethanone Formula: C14H20FN2O+ MolecularWeight: 251.319803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCC[NH+](CC2)C)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCC[NH+](CC2)C)F

InChI

InChI=1S/C14H19FN2O/c1-11(18)12-4-5-14(13(15)10-12)17-7-3-6-16(2)8-9-17/h4-5,10H,3,6-9H2,1-2H3/p+1