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3-[4-[bis(fluoranyl)methoxy]phenyl]-1-(5-methylheptyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-1-ium-3-ol bromide
3-[4-[bis(fluoranyl)methoxy]phenyl]-1-(5-methylheptyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-1-ium-3-ol bromide
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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.[Br-]
Isomeric SMILES
CCC(C)CCCC[N+]1=C2N(CCCS2)C(C1)(C3=CC=C(C=C3)OC(F)F)O.[Br-]
InChI
InChI=1S/C21H31F2N2O2S.BrH/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;1H/q+1;/p-1
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