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

Systemtic Name: 1-propan-2-yl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-isopropyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-propan-2-yl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-propan-2-yl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-isopropyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C20H27N5S+2 MolecularWeight: 369.52688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N5S/c1-16(2)25-18-8-4-3-7-17(18)24(20(25)26)15-22-11-13-23(14-12-22)19-9-5-6-10-21-19/h3-10,16H,11-15H2,1-2H3/p+2