[(3S)-2-oxidanylideneazepan-3-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: [(3S)-2-oxoazepan-3-yl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[3-(trifluoromethyl)benzyl]ammonium Formula: C14H18F3N2O+ MolecularWeight: 287.30073

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H17F3N2O/c15-14(16,17)11-5-3-4-10(8-11)9-19-12-6-1-2-7-18-13(12)20/h3-5,8,12,19H,1-2,6-7,9H2,(H,18,20)/p+1/t12-/m0/s1