4-[[6-fluoranyl-9-piperidin-1-ium-1-ylidene-4-(trifluoromethyl)thioxanthen-1-yl]methyl]cyclohexan-1-ol

Systemtic Name: 4-[[6-fluoranyl-9-piperidin-1-ium-1-ylidene-4-(trifluoromethyl)thioxanthen-1-yl]methyl]cyclohexan-1-ol Openeye Name: 4-[[6-fluoro-9-piperidin-1-ium-1-ylidene-4-(trifluoromethyl)thioxanthen-1-yl]methyl]cyclohexanol CAS Name: 4-[[6-fluoro-9-(1-piperidin-1-iumylidene)-4-(trifluoromethyl)-1-thioxanthenyl]methyl]-1-cyclohexanol IUPAC Name: 4-[[6-fluoro-9-piperidin-1-ium-1-ylidene-4-(trifluoromethyl)thioxanthen-1-yl]methyl]cyclohexan-1-ol Traditional Name: 4-[[6-fluoro-9-piperidin-1-ium-1-ylidene-4-(trifluoromethyl)thioxanthen-1-yl]methyl]cyclohexanol Formula: C26H28F4NOS+ MolecularWeight: 478.565233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C3=C(C=C(C=C3)F)SC4=C(C=CC(=C42)CC5CCC(CC5)O)C(F)(F)F)CC1

Isomeric SMILES

C1CC[N+](=C2C3=C(C=C(C=C3)F)SC4=C(C=CC(=C42)CC5CCC(CC5)O)C(F)(F)F)CC1

InChI

InChI=1S/C26H28F4NOS/c27-18-7-10-20-22(15-18)33-25-21(26(28,29)30)11-6-17(14-16-4-8-19(32)9-5-16)23(25)24(20)31-12-2-1-3-13-31/h6-7,10-11,15-16,19,32H,1-5,8-9,12-14H2/q+1