hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate chloride

Systemtic Name: hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate chloride Openeye Name: hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetate chloride CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]acetic acid hexadecyl ester chloride IUPAC Name: hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]acetate chloride Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetic acid cetyl ester chloride Formula: C24H44ClNO3S MolecularWeight: 462.12906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C[N+]1=CSC(=C1C)CCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C[N+]1=CSC(=C1C)CCO.[Cl-]

InChI

InChI=1S/C24H44NO3S.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)20-25-21-29-23(17-18-26)22(25)2;/h21,26H,3-20H2,1-2H3;1H/q+1;/p-1