4-[[4-[2-(1,3-benzodioxol-5-yl)-5-fluoranyl-benzimidazol-1-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-5-fluoranyl-benzimidazol-1-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-5-fluoro-benzimidazol-1-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-5-fluoro-1-benzimidazolyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-5-fluorobenzimidazol-1-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[4-[2-(1,3-benzodioxol-5-yl)-5-fluoro-benzimidazol-1-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C26H25FN3O3+ MolecularWeight: 446.493403

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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=C(C=C6)O

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O3/c27-19-4-7-23-22(14-19)28-26(18-3-8-24-25(13-18)33-16-32-24)30(23)20-9-11-29(12-10-20)15-17-1-5-21(31)6-2-17/h1-8,13-14,20,31H,9-12,15-16H2/p+1