cyclohexyl-methyl-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]azanium Traditional Name: cyclohexyl-[[4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]-methyl-ammonium Formula: C17H21F3N3O+ MolecularWeight: 340.36335

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)C(F)(F)F)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)C(F)(F)F)C3CCCCC3

InChI

InChI=1S/C17H20F3N3O/c1-23(12-5-3-2-4-6-12)10-15-21-14-9-11(17(18,19)20)7-8-13(14)16(24)22-15/h7-9,12H,2-6,10H2,1H3,(H,21,22,24)/p+1