5-[4-(5-oxidanyl-5,5-diphenyl-pent-2-ynyl)piperazine-1,4-diium-1-yl]-1,1-diphenyl-pent-3-yn-1-ol dichloride

Systemtic Name: 5-[4-(5-oxidanyl-5,5-diphenyl-pent-2-ynyl)piperazine-1,4-diium-1-yl]-1,1-diphenyl-pent-3-yn-1-ol dichloride Openeye Name: 5-[4-(5-hydroxy-5,5-diphenyl-pent-2-ynyl)piperazine-1,4-diium-1-yl]-1,1-diphenyl-pent-3-yn-1-ol dichloride CAS Name: 5-[4-(5-hydroxy-5,5-diphenylpent-2-ynyl)-1-piperazine-1,4-diiumyl]-1,1-diphenyl-3-pentyn-1-ol dichloride IUPAC Name: 5-[4-(5-hydroxy-5,5-diphenylpent-2-ynyl)piperazine-1,4-diium-1-yl]-1,1-diphenylpent-3-yn-1-ol dichloride Traditional Name: 5-[4-(5-hydroxy-5,5-diphenyl-pent-2-ynyl)piperazine-1,4-diium-1-yl]-1,1-diphenyl-pent-3-yn-1-ol dichloride Formula: C38H40Cl2N2O2 MolecularWeight: 627.6424

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC#CCC(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC#CCC(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-].[Cl-]

InChI

InChI=1S/C38H38N2O2.2ClH/c41-37(33-17-5-1-6-18-33,34-19-7-2-8-20-34)25-13-15-27-39-29-31-40(32-30-39)28-16-14-26-38(42,35-21-9-3-10-22-35)36-23-11-4-12-24-36;;/h1-12,17-24,41-42H,25-32H2;2*1H