1-(1,4-diazepan-4-ium-1-yl)-2-(3-fluorophenyl)ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-fluorophenyl)ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-fluorophenyl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-fluorophenyl)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-fluorophenyl)ethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(3-fluorophenyl)ethanone Formula: C13H18FN2O+ MolecularWeight: 237.293223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=CC(=CC=C2)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=CC(=CC=C2)F

InChI

InChI=1S/C13H17FN2O/c14-12-4-1-3-11(9-12)10-13(17)16-7-2-5-15-6-8-16/h1,3-4,9,15H,2,5-8,10H2/p+1