6-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 6-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 6-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 6-[[4-(1-pyrazolylmethyl)-1-piperidin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 6-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 6-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C17H22N5+ MolecularWeight: 296.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CN2C=CC=N2)CC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1C[NH+](CCC1CN2C=CC=N2)CC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C17H21N5/c1-6-20-22(7-1)12-14-4-8-21(9-5-14)11-15-2-3-16-17(10-15)19-13-18-16/h1-3,6-7,10,13-14H,4-5,8-9,11-12H2,(H,18,19)/p+1