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2-[4-methoxy-3-methyl-2-[(2-methyl-2-propoxy-propyl)sulfanylmethyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole

2-[4-methoxy-3-methyl-2-[(2-methyl-2-propoxy-propyl)sulfanylmethyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name:2-[4-methoxy-3-methyl-2-[(2-methyl-2-propoxy-propyl)sulfanylmethyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
Openeye Name:2-[4-methoxy-3-methyl-2-[(2-methyl-2-propoxy-propyl)sulfanylmethyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
CAS Name:2-[4-methoxy-3-methyl-2-[[(2-methyl-2-propoxypropyl)thio]methyl]-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC Name:2-[4-methoxy-3-methyl-2-[(2-methyl-2-propoxypropyl)sulfanylmethyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
Traditional Name:2-[4-methoxy-3-methyl-2-[[(2-methyl-2-propoxy-propyl)thio]methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
Formula: C23H29F3N3O2S+
MolecularWeight: 468.55547
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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C)(C)CSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F


Isomeric SMILES

CCCOC(C)(C)CSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F


InChI

InChI=1S/C23H29F3N3O2S/c1-6-11-31-22(3,4)14-32-13-19-15(2)20(30-5)9-10-29(19)21-27-17-8-7-16(23(24,25)26)12-18(17)28-21/h7-10,12H,6,11,13-14H2,1-5H3,(H,27,28)/q+1


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