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

Systemtic Name: 1,3-bis[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1,3-bis[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1,3-bis[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1,3-bis[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1,3-bis[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C27H36N8S+4 MolecularWeight: 504.69334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N(C2=S)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N(C2=S)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C27H32N8S/c36-27-34(21-30-13-17-32(18-14-30)25-9-3-5-11-28-25)23-7-1-2-8-24(23)35(27)22-31-15-19-33(20-16-31)26-10-4-6-12-29-26/h1-12H,13-22H2/p+4