2-[[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole Formula: C21H23N4S+ MolecularWeight: 363.49912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H22N4S/c1-4-8-20-17(5-1)16(15-26-20)13-24-9-11-25(12-10-24)14-21-22-18-6-2-3-7-19(18)23-21/h1-8,15H,9-14H2,(H,22,23)/p+1