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

Systemtic Name: 2-[2-[(2-butoxy-2-methyl-propyl)sulfanylmethyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[2-[(2-butoxy-2-methyl-propyl)sulfanylmethyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[2-[[(2-butoxy-2-methylpropyl)thio]methyl]-4-methoxy-3-methyl-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[2-[(2-butoxy-2-methylpropyl)sulfanylmethyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[2-[[(2-butoxy-2-methyl-propyl)thio]methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C24H31F3N3O2S+ MolecularWeight: 482.58205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31F3N3O2S/c1-6-7-12-32-23(3,4)15-33-14-20-16(2)21(31-5)10-11-30(20)22-28-18-9-8-17(24(25,26)27)13-19(18)29-22/h8-11,13H,6-7,12,14-15H2,1-5H3,(H,28,29)/q+1