ethyl-[6-[ethyl-methyl-(2-oxidanyldecyl)azaniumyl]hexyl]-methyl-(2-oxidanyldecyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-[6-[ethyl-methyl-(2-oxidanyldecyl)azaniumyl]hexyl]-methyl-(2-oxidanyldecyl)azanium; 4-methylbenzenesulfonate Openeye Name: ethyl-[6-[ethyl-(2-hydroxydecyl)-methyl-ammonio]hexyl]-(2-hydroxydecyl)-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-[6-[ethyl-(2-hydroxydecyl)-methylammonio]hexyl]-(2-hydroxydecyl)-methylammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-[6-[ethyl-(2-hydroxydecyl)-methylazaniumyl]hexyl]-(2-hydroxydecyl)-methylazanium; 4-methylbenzenesulfonate Traditional Name: ethyl-[6-[ethyl-(2-hydroxydecyl)-methyl-ammonio]hexyl]-(2-hydroxydecyl)-methyl-ammonium ditosylate Formula: C46H84N2O8S2 MolecularWeight: 857.29776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C[N+](C)(CC)CCCCCC[N+](C)(CC)CC(CCCCCCCC)O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC(C[N+](C)(CC)CCCCCC[N+](C)(CC)CC(CCCCCCCC)O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C32H70N2O2.2C7H8O3S/c1-7-11-13-15-17-21-25-31(35)29-33(5,9-3)27-23-19-20-24-28-34(6,10-4)30-32(36)26-22-18-16-14-12-8-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h31-32,35-36H,7-30H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2