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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-fluoranyl-1-[1-(furan-3-ylmethyl)piperidin-1-ium-4-yl]benzimidazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-[1-(3-furylmethyl)piperidin-1-ium-4-yl]benzimidazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-[1-(3-furanylmethyl)-4-piperidin-1-iumyl]benzimidazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-[1-(furan-3-ylmethyl)piperidin-1-ium-4-yl]benzimidazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-[1-(3-furfuryl)piperidin-1-ium-4-yl]benzimidazole Formula: C24H23FN3O3+ MolecularWeight: 420.456123

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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=COC=C6

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=C2C4=CC5=C(C=C4)OCO5)CC6=COC=C6

InChI

InChI=1S/C24H22FN3O3/c25-18-2-3-21-20(12-18)26-24(17-1-4-22-23(11-17)31-15-30-22)28(21)19-5-8-27(9-6-19)13-16-7-10-29-14-16/h1-4,7,10-12,14,19H,5-6,8-9,13,15H2/p+1