3-[4-[bis(fluoranyl)methoxy]phenyl]-1-(5-methylheptyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-1-ium-3-ol

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]phenyl]-1-(5-methylheptyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-1-ium-3-ol Openeye Name: 3-[4-(difluoromethoxy)phenyl]-1-(5-methylheptyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-1-ium-3-ol CAS Name: 3-[4-(difluoromethoxy)phenyl]-1-(5-methylheptyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-1-ium-3-ol IUPAC Name: 3-[4-(difluoromethoxy)phenyl]-1-(5-methylheptyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-1-ium-3-ol Traditional Name: 3-[4-(difluoromethoxy)phenyl]-1-(5-methylheptyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-1-ium-3-ol Formula: C21H31F2N2O2S+ MolecularWeight: 413.544846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC[N+]1=C2N(CCCS2)C(C1)(C3=CC=C(C=C3)OC(F)F)O

Isomeric SMILES

CCC(C)CCCC[N+]1=C2N(CCCS2)C(C1)(C3=CC=C(C=C3)OC(F)F)O

InChI

InChI=1S/C21H31F2N2O2S/c1-3-16(2)7-4-5-12-24-15-21(26,25-13-6-14-28-20(24)25)17-8-10-18(11-9-17)27-19(22)23/h8-11,16,19,26H,3-7,12-15H2,1-2H3/q+1