cycloheptyl-[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cycloheptyl-[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cycloheptyl-[(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl]ammonium CAS Name: cycloheptyl-[(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: cycloheptyl-[(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]azanium Traditional Name: cycloheptyl-[(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]ammonium Formula: C17H23F3N3O3+ MolecularWeight: 374.37803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)[NH2+]C2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)[NH2+]C2CCCCCC2

InChI

InChI=1S/C17H22F3N3O3/c1-11(21-12-6-4-2-3-5-7-12)16(24)22-15-9-8-13(23(25)26)10-14(15)17(18,19)20/h8-12,21H,2-7H2,1H3,(H,22,24)/p+1/t11-/m1/s1