hexadecyl-methyl-octadecan-2-yl-oxidanyl-azanium; methyl sulfate

Systemtic Name: hexadecyl-methyl-octadecan-2-yl-oxidanyl-azanium; methyl sulfate Openeye Name: hexadecyl-hydroxy-methyl-(1-methylheptadecyl)ammonium; methyl sulfate CAS Name: hexadecyl-hydroxy-methyl-octadecan-2-ylammonium; methyl sulfate IUPAC Name: hexadecyl-hydroxy-methyl-octadecan-2-ylazanium; methyl sulfate Traditional Name: cetyl-hydroxy-methyl-(1-methylheptadecyl)ammonium; methyl sulfate Formula: C36H77NO5S MolecularWeight: 636.06528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)[N+](C)(CCCCCCCCCCCCCCCC)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)[N+](C)(CCCCCCCCCCCCCCCC)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C35H74NO.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3)36(4,37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h35,37H,5-34H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1