1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone Openeye Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-2-(2-thiazol-4-ylbenzimidazol-1-yl)ethanone CAS Name: 1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-[2-(4-thiazolyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone Traditional Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-2-(2-thiazol-4-ylbenzimidazol-1-yl)ethanone Formula: C22H23N6OS+ MolecularWeight: 419.52262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5

InChI

InChI=1S/C22H22N6OS/c29-21(27-11-9-26(10-12-27)13-17-5-7-23-8-6-17)14-28-20-4-2-1-3-18(20)25-22(28)19-15-30-16-24-19/h1-8,15-16H,9-14H2/p+1