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

Systemtic Name: 1-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-ethyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C19H25N5S+2 MolecularWeight: 355.5003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H23N5S/c1-2-23-16-7-3-4-8-17(16)24(19(23)25)15-21-11-13-22(14-12-21)18-9-5-6-10-20-18/h3-10H,2,11-15H2,1H3/p+2