4-[bis(3-phenylprop-2-ynyl)azaniumyl]butyl-bis(3-phenylprop-2-ynyl)azanium dichloride

Systemtic Name: 4-[bis(3-phenylprop-2-ynyl)azaniumyl]butyl-bis(3-phenylprop-2-ynyl)azanium dichloride Openeye Name: 4-[bis(3-phenylprop-2-ynyl)ammonio]butyl-bis(3-phenylprop-2-ynyl)ammonium dichloride CAS Name: 4-[bis(3-phenylprop-2-ynyl)ammonio]butyl-bis(3-phenylprop-2-ynyl)ammonium dichloride IUPAC Name: 4-[bis(3-phenylprop-2-ynyl)azaniumyl]butyl-bis(3-phenylprop-2-ynyl)azanium dichloride Traditional Name: 4-[bis(3-phenylprop-2-ynyl)ammonio]butyl-bis(3-phenylprop-2-ynyl)ammonium dichloride Formula: C40H38Cl2N2 MolecularWeight: 617.64912

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H36N2.2ClH/c1-5-19-37(20-6-1)27-15-33-41(34-16-28-38-21-7-2-8-22-38)31-13-14-32-42(35-17-29-39-23-9-3-10-24-39)36-18-30-40-25-11-4-12-26-40;;/h1-12,19-26H,13-14,31-36H2;2*1H