(2-dodecylphenyl)-trimethyl-azanium; methyl sulfate

Systemtic Name: (2-dodecylphenyl)-trimethyl-azanium; methyl sulfate Openeye Name: (2-dodecylphenyl)-trimethyl-ammonium; methyl sulfate CAS Name: (2-dodecylphenyl)-trimethylammonium; methyl sulfate IUPAC Name: (2-dodecylphenyl)-trimethylazanium; methyl sulfate Traditional Name: (2-laurylphenyl)-trimethyl-ammonium; methyl sulfate Formula: C22H41NO4S MolecularWeight: 415.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H38N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)22(2,3)4;1-5-6(2,3)4/h15-16,18-19H,5-14,17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1