1,3-bis[2-oxidanyl-3-(4-pyridin-2-ylpiperazine-1,4-diium-1-yl)propyl]benzimidazol-2-one tetrachloride

Systemtic Name: 1,3-bis[2-oxidanyl-3-(4-pyridin-2-ylpiperazine-1,4-diium-1-yl)propyl]benzimidazol-2-one tetrachloride Openeye Name: 1,3-bis[2-hydroxy-3-[4-(2-pyridyl)piperazine-1,4-diium-1-yl]propyl]benzimidazol-2-one tetrachloride CAS Name: 1,3-bis[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazine-1,4-diiumyl]propyl]-2-benzimidazolone tetrachloride IUPAC Name: 1,3-bis[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1,4-diium-1-yl)propyl]benzimidazol-2-one tetrachloride Traditional Name: 1,3-bis[2-hydroxy-3-[4-(2-pyridyl)piperazine-1,4-diium-1-yl]propyl]benzimidazol-2-one tetrachloride Formula: C31H44Cl4N8O3 MolecularWeight: 718.54486

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC(CN2C3=CC=CC=C3N(C2=O)CC(C[NH+]4CC[NH+](CC4)C5=CC=CC=N5)O)O)C6=CC=CC=N6.[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC(CN2C3=CC=CC=C3N(C2=O)CC(C[NH+]4CC[NH+](CC4)C5=CC=CC=N5)O)O)C6=CC=CC=N6.[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C31H40N8O3.4ClH/c40-25(21-34-13-17-36(18-14-34)29-9-3-5-11-32-29)23-38-27-7-1-2-8-28(27)39(31(38)42)24-26(41)22-35-15-19-37(20-16-35)30-10-4-6-12-33-30;;;;/h1-12,25-26,40-41H,13-24H2;4*1H