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

Systemtic Name: hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate Openeye Name: hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetate CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]acetate Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetic acid cetyl ester Formula: C24H44NO3S+ MolecularWeight: 426.67606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H44NO3S/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/q+1