2-(1,3-benzodioxol-5-yl)-5-fluoranyl-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]benzimidazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-fluoranyl-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]benzimidazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]benzimidazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]benzimidazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]benzimidazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-[1-(2-thenyl)piperidin-1-ium-4-yl]benzimidazole Formula: C24H23FN3O2S+ MolecularWeight: 436.521723

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=C2C4=CC5=C(C=C4)OCO5)CC6=CC=CS6

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=C2C4=CC5=C(C=C4)OCO5)CC6=CC=CS6

InChI

InChI=1S/C24H22FN3O2S/c25-17-4-5-21-20(13-17)26-24(16-3-6-22-23(12-16)30-15-29-22)28(21)18-7-9-27(10-8-18)14-19-2-1-11-31-19/h1-6,11-13,18H,7-10,14-15H2/p+1