2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl hexadecyl phosphate

Systemtic Name: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl hexadecyl phosphate Openeye Name: 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl hexadecyl phosphate CAS Name: 2-(3,4-dimethyl-5-thiazol-3-iumyl)ethyl hexadecyl phosphate IUPAC Name: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl hexadecyl phosphate Traditional Name: cetyl 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl phosphate Formula: C23H44NO4PS MolecularWeight: 461.638521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])OCCC1=C([N+](=CS1)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])OCCC1=C([N+](=CS1)C)C

InChI

InChI=1S/C23H44NO4PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-29(25,26)28-20-18-23-22(2)24(3)21-30-23/h21H,4-20H2,1-3H3