4-dodecyl-4-hexadecyl-thiomorpholin-4-ium; hexadecyl hydrogen sulfate

Systemtic Name: 4-dodecyl-4-hexadecyl-thiomorpholin-4-ium; hexadecyl hydrogen sulfate Openeye Name: 4-dodecyl-4-hexadecyl-thiomorpholin-4-ium; hexadecyl hydrogen sulfate CAS Name: 4-dodecyl-4-hexadecylthiomorpholin-4-ium; sulfuric acid hexadecyl ester IUPAC Name: 4-dodecyl-4-hexadecylthiomorpholin-4-ium; hexadecyl hydrogen sulfate Traditional Name: 4-cetyl-4-lauryl-thiomorpholin-4-ium; sulfuric acid cetyl ester Formula: C48H100NO4S2+ MolecularWeight: 819.4419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCSCC1)CCCCCCCCCCCC.CCCCCCCCCCCCCCCCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCSCC1)CCCCCCCCCCCC.CCCCCCCCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C32H66NS.C16H34O4S/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-33(29-31-34-32-30-33)27-25-23-21-19-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h3-32H2,1-2H3;2-16H2,1H3,(H,17,18,19)/q+1;