1-(1,4-diazepan-4-ium-1-yl)-3,3,3-tris(fluoranyl)propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3,3-tris(fluoranyl)propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3,3-trifluoro-propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3,3-trifluoro-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3,3-trifluoropropan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3,3-trifluoro-propan-1-one Formula: C8H14F3N2O+ MolecularWeight: 211.20477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13F3N2O/c9-8(10,11)6-7(14)13-4-1-2-12-3-5-13/h12H,1-6H2/p+1