1,4-didodecyl-1,4-dimethyl-piperazine-1,4-diium; methyl hydrogen sulfate

Systemtic Name: 1,4-didodecyl-1,4-dimethyl-piperazine-1,4-diium; methyl hydrogen sulfate Openeye Name: 1,4-didodecyl-1,4-dimethyl-piperazine-1,4-diium; methyl hydrogen sulfate CAS Name: 1,4-didodecyl-1,4-dimethylpiperazine-1,4-diium; sulfuric acid methyl ester IUPAC Name: 1,4-didodecyl-1,4-dimethylpiperazine-1,4-diium; methyl hydrogen sulfate Traditional Name: 1,4-dilauryl-1,4-dimethyl-piperazine-1,4-diium; sulfuric acid methyl ester Formula: C31H68N2O4S+2 MolecularWeight: 564.94762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CC[N+](CC1)(C)CCCCCCCCCCCC)C.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CC[N+](CC1)(C)CCCCCCCCCCCC)C.COS(=O)(=O)O

InChI

InChI=1S/C30H64N2.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-31(3)27-29-32(4,30-28-31)26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-30H2,1-4H3;1H3,(H,2,3,4)/q+2;