6-[bis(3-phenylprop-2-ynyl)azaniumyl]hexyl-bis(3-phenylprop-2-ynyl)azanium dichloride

Systemtic Name: 6-[bis(3-phenylprop-2-ynyl)azaniumyl]hexyl-bis(3-phenylprop-2-ynyl)azanium dichloride Openeye Name: 6-[bis(3-phenylprop-2-ynyl)ammonio]hexyl-bis(3-phenylprop-2-ynyl)ammonium dichloride CAS Name: 6-[bis(3-phenylprop-2-ynyl)ammonio]hexyl-bis(3-phenylprop-2-ynyl)ammonium dichloride IUPAC Name: 6-[bis(3-phenylprop-2-ynyl)azaniumyl]hexyl-bis(3-phenylprop-2-ynyl)azanium dichloride Traditional Name: 6-[bis(3-phenylprop-2-ynyl)ammonio]hexyl-bis(3-phenylprop-2-ynyl)ammonium dichloride Formula: C42H42Cl2N2 MolecularWeight: 645.70228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC[NH+](CCCCCC[NH+](CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3)CC#CC4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC[NH+](CCCCCC[NH+](CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3)CC#CC4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C42H40N2.2ClH/c1(15-33-43(35-17-29-39-21-7-3-8-22-39)36-18-30-40-23-9-4-10-24-40)2-16-34-44(37-19-31-41-25-11-5-12-26-41)38-20-32-42-27-13-6-14-28-42;;/h3-14,21-28H,1-2,15-16,33-38H2;2*1H