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

Systemtic Name: 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl hexadecyl hydrogen phosphate Openeye Name: 2-(3-ethyl-4-methyl-thiazol-3-ium-5-yl)ethyl hexadecyl hydrogen phosphate CAS Name: 2-(3-ethyl-4-methyl-5-thiazol-3-iumyl)ethyl hexadecyl hydrogen phosphate IUPAC Name: 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl hexadecyl hydrogen phosphate Traditional Name: cetyl 2-(3-ethyl-4-methyl-thiazol-3-ium-5-yl)ethyl hydrogen phosphate Formula: C24H47NO4PS+ MolecularWeight: 476.673041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46NO4PS/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-28-30(26,27)29-21-19-24-23(3)25(5-2)22-31-24/h22H,4-21H2,1-3H3/p+1