dibutyl(dioctadecyl)azanium; octadecyl hydrogen sulfate

Systemtic Name: dibutyl(dioctadecyl)azanium; octadecyl hydrogen sulfate Openeye Name: dibutyl(dioctadecyl)ammonium; octadecyl hydrogen sulfate CAS Name: dibutyl(dioctadecyl)ammonium; sulfuric acid octadecyl ester IUPAC Name: dibutyl(dioctadecyl)azanium; octadecyl hydrogen sulfate Traditional Name: dibutyl(distearyl)ammonium; sulfuric acid stearyl ester Formula: C62H130NO4S+ MolecularWeight: 985.7649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C44H92N.C18H38O4S/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-45(41-11-7-3,42-12-8-4)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h5-44H2,1-4H3;2-18H2,1H3,(H,19,20,21)/q+1;