(3-methyl-2-oxidanyl-henicosan-2-yl)azanium; methyl sulfate

Systemtic Name: (3-methyl-2-oxidanyl-henicosan-2-yl)azanium; methyl sulfate Openeye Name: (1-hydroxy-1,2-dimethyl-icosyl)ammonium; methyl sulfate CAS Name: (2-hydroxy-3-methylheneicosan-2-yl)ammonium; methyl sulfate IUPAC Name: (2-hydroxy-3-methylhenicosan-2-yl)azanium; methyl sulfate Traditional Name: (1-hydroxy-1,2-dimethyl-eicosyl)ammonium; methyl sulfate Formula: C23H51NO5S MolecularWeight: 453.71974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)C(C)([NH3+])O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)C(C)([NH3+])O.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H47NO.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(3,23)24;1-5-6(2,3)4/h21,24H,4-20,23H2,1-3H3;1H3,(H,2,3,4)