2-[1-[[1-(6-fluoranyl-1H-benzimidazol-2-yl)-4-methoxy-3-methyl-pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-yl]oxyethanol

Systemtic Name: 2-[1-[[1-(6-fluoranyl-1H-benzimidazol-2-yl)-4-methoxy-3-methyl-pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-yl]oxyethanol Openeye Name: 2-[2-[[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methoxy-3-methyl-pyridin-1-ium-2-yl]methylsulfanyl]-1,1-dimethyl-ethoxy]ethanol CAS Name: 2-[1-[[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methoxy-3-methyl-2-pyridin-1-iumyl]methylthio]-2-methylpropan-2-yl]oxyethanol IUPAC Name: 2-[1-[[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methoxy-3-methylpyridin-1-ium-2-yl]methylsulfanyl]-2-methylpropan-2-yl]oxyethanol Traditional Name: 2-[2-[[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methoxy-3-methyl-pyridin-1-ium-2-yl]methylthio]-1,1-dimethyl-ethoxy]ethanol Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1CSCC(C)(C)OCCO)C2=NC3=C(N2)C=C(C=C3)F)OC

Isomeric SMILES

CC1=C(C=C[N+](=C1CSCC(C)(C)OCCO)C2=NC3=C(N2)C=C(C=C3)F)OC

InChI

InChI=1S/C21H27FN3O3S/c1-14-18(12-29-13-21(2,3)28-10-9-26)25(8-7-19(14)27-4)20-23-16-6-5-15(22)11-17(16)24-20/h5-8,11,26H,9-10,12-13H2,1-4H3,(H,23,24)/q+1