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

Systemtic Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-methyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C18H23N5S+2 MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H21N5S/c1-20-15-6-2-3-7-16(15)23(18(20)24)14-21-10-12-22(13-11-21)17-8-4-5-9-19-17/h2-9H,10-14H2,1H3/p+2