icosan-2-yl-dimethyl-oxidanyl-azanium; methyl sulfate

Systemtic Name: icosan-2-yl-dimethyl-oxidanyl-azanium; methyl sulfate Openeye Name: hydroxy-dimethyl-(1-methylnonadecyl)ammonium; methyl sulfate CAS Name: eicosan-2-yl-hydroxy-dimethylammonium; methyl sulfate IUPAC Name: hydroxy-icosan-2-yl-dimethylazanium; methyl sulfate Traditional Name: hydroxy-dimethyl-(1-methylnonadecyl)ammonium; methyl sulfate Formula: C23H51NO5S MolecularWeight: 453.71974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H48NO.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(3,4)24;1-5-6(2,3)4/h22,24H,5-21H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1