2-[[1-[4-[4-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methyl-azanium; methyl sulfate

Systemtic Name: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methyl-azanium; methyl sulfate Openeye Name: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)ammonio]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methyl-ammonium; methyl sulfate CAS Name: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)ammonio]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methylammonium; methyl sulfate IUPAC Name: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methylazanium; methyl sulfate Traditional Name: 2-[[1-[4-[4-[6-[2-[diethyl(methyl)ammonio]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-6-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methyl-ammonium; methyl sulfate Formula: C43H57N2O6S+ MolecularWeight: 729.98748

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC12C=CC=CC1(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C56C=CC=CC5(C=C6)OCC[N+](C)(CC)CC.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CCOC12C=CC=CC1(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C56C=CC=CC5(C=C6)OCC[N+](C)(CC)CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C42H54N2O2.CH4O4S/c1-7-43(5,8-2)31-33-45-41-25-13-11-23-39(41,27-29-41)37-19-15-35(16-20-37)36-17-21-38(22-18-36)40-24-12-14-26-42(40,30-28-40)46-34-32-44(6,9-3)10-4;1-5-6(2,3)4/h11-30H,7-10,31-34H2,1-6H3;1H3,(H,2,3,4)/q+2;/p-1