[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[4-(trifluoromethyl)phenyl]azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[4-(trifluoromethyl)phenyl]azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[4-(trifluoromethyl)phenyl]ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[4-(trifluoromethyl)phenyl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[4-(trifluoromethyl)phenyl]azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[4-(trifluoromethyl)phenyl]ammonium Formula: C15H20F3N2O+ MolecularWeight: 301.32731

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH2+]C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH2+]C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H19F3N2O/c16-15(17,18)12-5-7-13(8-6-12)19-11-14(21)20-9-3-1-2-4-10-20/h5-8,19H,1-4,9-11H2/p+1