dimethyl-octadecyl-[3-(trimethylazaniumyl)propyl]azanium; methyl sulfate

Systemtic Name: dimethyl-octadecyl-[3-(trimethylazaniumyl)propyl]azanium; methyl sulfate Openeye Name: dimethyl-octadecyl-[3-(trimethylammonio)propyl]ammonium; methyl sulfate CAS Name: dimethyl-octadecyl-[3-(trimethylammonio)propyl]ammonium; methyl sulfate IUPAC Name: dimethyl-octadecyl-[3-(trimethylazaniumyl)propyl]azanium; methyl sulfate Traditional Name: dimethyl-stearyl-[3-(trimethylammonio)propyl]ammonium; methyl sulfate Formula: C28H64N2O8S2 MolecularWeight: 620.94636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C26H58N2.2CH4O4S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(5,6)26-23-24-27(2,3)4;2*1-5-6(2,3)4/h7-26H2,1-6H3;2*1H3,(H,2,3,4)/q+2;;/p-2