chloromethyl-methyl-dioctadecyl-azanium sulfate

Systemtic Name: chloromethyl-methyl-dioctadecyl-azanium sulfate Openeye Name: chloromethyl-methyl-dioctadecyl-ammonium sulfate CAS Name: chloromethyl-methyl-dioctadecylammonium sulfate IUPAC Name: chloromethyl-methyl-dioctadecylazanium sulfate Traditional Name: chloromethyl-methyl-distearyl-ammonium sulfate Formula: C38H79ClNO4S- MolecularWeight: 681.55616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H79ClN.H2O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(3,38-39)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5(2,3)4/h4-38H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2