dimethyl-(2-octadecylphenyl)azanium; methyl sulfate

Systemtic Name: dimethyl-(2-octadecylphenyl)azanium; methyl sulfate Openeye Name: dimethyl-(2-octadecylphenyl)ammonium; methyl sulfate CAS Name: dimethyl-(2-octadecylphenyl)ammonium; methyl sulfate IUPAC Name: dimethyl-(2-octadecylphenyl)azanium; methyl sulfate Traditional Name: dimethyl-(2-stearylphenyl)ammonium; methyl sulfate Formula: C27H51NO4S MolecularWeight: 485.76314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1[NH+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1[NH+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C26H47N.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24-26(25)27(2)3;1-5-6(2,3)4/h20-21,23-24H,4-19,22H2,1-3H3;1H3,(H,2,3,4)