4-[[1-(piperidin-4-ylmethyl)benzimidazol-1-ium-1-yl]methyl]-1,3-thiazole trihydrobromide

Systemtic Name: 4-[[1-(piperidin-4-ylmethyl)benzimidazol-1-ium-1-yl]methyl]-1,3-thiazole trihydrobromide Openeye Name: 4-[[1-(4-piperidylmethyl)benzimidazol-1-ium-1-yl]methyl]thiazole trihydrobromide CAS Name: 4-[[1-(4-piperidinylmethyl)-1-benzimidazol-1-iumyl]methyl]thiazole trihydrobromide IUPAC Name: 4-[[1-(piperidin-4-ylmethyl)benzimidazol-1-ium-1-yl]methyl]-1,3-thiazole trihydrobromide Traditional Name: 4-[[1-(4-piperidylmethyl)benzimidazol-1-ium-1-yl]methyl]thiazole trihydrobromide Formula: C17H24Br3N4S+ MolecularWeight: 556.17626

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C[N+]2(C=NC3=CC=CC=C32)CC4=CSC=N4.Br.Br.Br

Isomeric SMILES

C1CNCCC1C[N+]2(C=NC3=CC=CC=C32)CC4=CSC=N4.Br.Br.Br

InChI

InChI=1S/C17H21N4S.3BrH/c1-2-4-17-16(3-1)19-12-21(17,10-15-11-22-13-20-15)9-14-5-7-18-8-6-14;;;/h1-4,11-14,18H,5-10H2;3*1H/q+1;;;