1,4-bis[4-(diphenylmethyl)oxybut-2-ynyl]piperazine-1,4-diium dichloride

Systemtic Name: 1,4-bis[4-(diphenylmethyl)oxybut-2-ynyl]piperazine-1,4-diium dichloride Openeye Name: 1,4-bis(4-benzhydryloxybut-2-ynyl)piperazine-1,4-diium dichloride CAS Name: 1,4-bis[4-(diphenylmethyl)oxybut-2-ynyl]piperazine-1,4-diium dichloride IUPAC Name: 1,4-bis(4-benzhydryloxybut-2-ynyl)piperazine-1,4-diium dichloride Traditional Name: 1,4-bis(4-benzhydryloxybut-2-ynyl)piperazine-1,4-diium dichloride Formula: C38H40Cl2N2O2 MolecularWeight: 627.6424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H38N2O2.2ClH/c1-5-17-33(18-6-1)37(34-19-7-2-8-20-34)41-31-15-13-25-39-27-29-40(30-28-39)26-14-16-32-42-38(35-21-9-3-10-22-35)36-23-11-4-12-24-36;;/h1-12,17-24,37-38H,25-32H2;2*1H