2-[9,10-bis(2-phenylethynyl)-6-[2-(trimethylazaniumyl)ethoxy]anthracen-2-yl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[9,10-bis(2-phenylethynyl)-6-[2-(trimethylazaniumyl)ethoxy]anthracen-2-yl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[9,10-bis(2-phenylethynyl)-6-[2-(trimethylammonio)ethoxy]-2-anthryl]oxy]ethyl-trimethyl-ammonium CAS Name: 2-[[9,10-bis(2-phenylethynyl)-6-[2-(trimethylammonio)ethoxy]-2-anthracenyl]oxy]ethyl-trimethylammonium IUPAC Name: 2-[9,10-bis(2-phenylethynyl)-6-[2-(trimethylazaniumyl)ethoxy]anthracen-2-yl]oxyethyl-trimethylazanium Traditional Name: 2-[[9,10-bis(2-phenylethynyl)-6-[2-(trimethylammonio)ethoxy]-2-anthryl]oxy]ethyl-trimethyl-ammonium Formula: C40H42N2O2+2 MolecularWeight: 582.77368

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC1=CC2=C(C=C1)C(=C3C=C(C=CC3=C2C#CC4=CC=CC=C4)OCC[N+](C)(C)C)C#CC5=CC=CC=C5

Isomeric SMILES

C[N+](C)(C)CCOC1=CC2=C(C=C1)C(=C3C=C(C=CC3=C2C#CC4=CC=CC=C4)OCC[N+](C)(C)C)C#CC5=CC=CC=C5

InChI

InChI=1S/C40H42N2O2/c1-41(2,3)25-27-43-33-19-23-37-36(22-18-32-15-11-8-12-16-32)40-30-34(44-28-26-42(4,5)6)20-24-38(40)35(39(37)29-33)21-17-31-13-9-7-10-14-31/h7-16,19-20,23-24,29-30H,25-28H2,1-6H3/q+2