hexadecyl(trimethyl)azanium; propan-2-yl sulfate

Systemtic Name: hexadecyl(trimethyl)azanium; propan-2-yl sulfate Openeye Name: hexadecyl(trimethyl)ammonium; isopropyl sulfate CAS Name: hexadecyl(trimethyl)ammonium; propan-2-yl sulfate IUPAC Name: hexadecyl(trimethyl)azanium; propan-2-yl sulfate Traditional Name: cetyl(trimethyl)ammonium; isopropyl sulfate Formula: C22H49NO4S MolecularWeight: 423.69376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-]

InChI

InChI=1S/C19H42N.C3H8O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-3(2)7-8(4,5)6/h5-19H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;/p-1