1,4-dihexadecyl-1,4-dimethyl-1,4-diazepane-1,4-diium; methyl hydrogen sulfate

Systemtic Name: 1,4-dihexadecyl-1,4-dimethyl-1,4-diazepane-1,4-diium; methyl hydrogen sulfate Openeye Name: 1,4-dihexadecyl-1,4-dimethyl-1,4-diazepane-1,4-diium; methyl hydrogen sulfate CAS Name: 1,4-dihexadecyl-1,4-dimethyl-1,4-diazepane-1,4-diium; sulfuric acid methyl ester IUPAC Name: 1,4-dihexadecyl-1,4-dimethyl-1,4-diazepane-1,4-diium; methyl hydrogen sulfate Traditional Name: 1,4-dicetyl-1,4-dimethyl-1,4-diazepane-1,4-diium; sulfuric acid methyl ester Formula: C40H86N2O4S+2 MolecularWeight: 691.18684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCC[N+](CC1)(C)CCCCCCCCCCCCCCCC)C.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCC[N+](CC1)(C)CCCCCCCCCCCCCCCC)C.COS(=O)(=O)O

InChI

InChI=1S/C39H82N2.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40(3)36-33-37-41(4,39-38-40)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-39H2,1-4H3;1H3,(H,2,3,4)/q+2;