[(E)-docos-13-enyl]-trimethyl-azanium; methyl sulfate

Systemtic Name: [(E)-docos-13-enyl]-trimethyl-azanium; methyl sulfate Openeye Name: [(E)-docos-13-enyl]-trimethyl-ammonium; methyl sulfate CAS Name: [(E)-docos-13-enyl]-trimethylammonium; methyl sulfate IUPAC Name: [(E)-docos-13-enyl]-trimethylazanium; methyl sulfate Traditional Name: [(E)-docos-13-enyl]-trimethyl-ammonium; methyl sulfate Formula: C26H55NO4S MolecularWeight: 477.7842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H52N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;1-5-6(2,3)4/h12-13H,5-11,14-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b13-12+;