2-[1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-1H-benzimidazole CAS Name: 2-[1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-1H-benzimidazole Traditional Name: 2-[1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-1H-benzimidazole Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+]4CCC(CC4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+]4CCC(CC4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C25H27N5O2/c1-29-15-19(24(28-29)18-6-7-22-23(14-18)32-13-12-31-22)16-30-10-8-17(9-11-30)25-26-20-4-2-3-5-21(20)27-25/h2-7,14-15,17H,8-13,16H2,1H3,(H,26,27)/p+1