2-(1,3-benzodioxol-5-yl)-1-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)benzimidazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)benzimidazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)benzimidazole CAS Name: 2-(1,3-benzodioxol-5-yl)-1-(1-methyl-4-piperidin-1-iumyl)-5-(trifluoromethyl)benzimidazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)benzimidazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(1-methylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)benzimidazole Formula: C21H21F3N3O2+ MolecularWeight: 404.40555

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+]1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20F3N3O2/c1-26-8-6-15(7-9-26)27-17-4-3-14(21(22,23)24)11-16(17)25-20(27)13-2-5-18-19(10-13)29-12-28-18/h2-5,10-11,15H,6-9,12H2,1H3/p+1