1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-methyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C17H21N6S+ MolecularWeight: 341.45384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H20N6S/c1-20-14-5-2-3-6-15(14)23(17(20)24)13-21-9-11-22(12-10-21)16-18-7-4-8-19-16/h2-8H,9-13H2,1H3/p+1