trimethyl(octadecyl)azanium sulfate

Systemtic Name: trimethyl(octadecyl)azanium sulfate Openeye Name: trimethyl(octadecyl)ammonium sulfate CAS Name: trimethyl(octadecyl)ammonium sulfate IUPAC Name: trimethyl(octadecyl)azanium sulfate Traditional Name: trimethyl(stearyl)ammonium sulfate Formula: C42H92N2O4S MolecularWeight: 721.25588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C21H46N.H2O4S/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-5(2,3)4/h2*5-21H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2