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

Systemtic Name: 1,3-bis[2-oxidanyl-3-(4-pyridin-2-ylpiperazine-1,4-diium-1-yl)propyl]benzimidazol-2-one Openeye Name: 1,3-bis[2-hydroxy-3-[4-(2-pyridyl)piperazine-1,4-diium-1-yl]propyl]benzimidazol-2-one CAS Name: 1,3-bis[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazine-1,4-diiumyl]propyl]-2-benzimidazolone IUPAC Name: 1,3-bis[2-hydroxy-3-(4-pyridin-2-ylpiperazine-1,4-diium-1-yl)propyl]benzimidazol-2-one Traditional Name: 1,3-bis[2-hydroxy-3-[4-(2-pyridyl)piperazine-1,4-diium-1-yl]propyl]benzimidazol-2-one Formula: C31H44N8O3+4 MolecularWeight: 576.73286

Click to see the large picture

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

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

InChI

InChI=1S/C31H40N8O3/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/p+4