1,3-bis[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]benzimidazole-2-thione

Systemtic Name: 1,3-bis[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1,3-bis[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1,3-bis[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-2-benzimidazolethione IUPAC Name: 1,3-bis[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1,3-bis[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]benzimidazole-2-thione Formula: C21H38N6O2S+4 MolecularWeight: 438.63042

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CN2C3=CC=CC=C3N(C2=S)C[NH+]4CC[NH+](CC4)CCO

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CN2C3=CC=CC=C3N(C2=S)C[NH+]4CC[NH+](CC4)CCO

InChI

InChI=1S/C21H34N6O2S/c28-15-13-22-5-9-24(10-6-22)17-26-19-3-1-2-4-20(19)27(21(26)30)18-25-11-7-23(8-12-25)14-16-29/h1-4,28-29H,5-18H2/p+4