[1-hexadecoxy-3-(1,3-thiazol-3-ium-3-yl)propan-2-yl] ethanoate iodide

Systemtic Name: [1-hexadecoxy-3-(1,3-thiazol-3-ium-3-yl)propan-2-yl] ethanoate iodide Openeye Name: [1-(hexadecoxymethyl)-2-thiazol-3-ium-3-yl-ethyl] acetate iodide CAS Name: acetic acid [1-hexadecoxy-3-(3-thiazol-3-iumyl)propan-2-yl] ester iodide IUPAC Name: [1-hexadecoxy-3-(1,3-thiazol-3-ium-3-yl)propan-2-yl] acetate iodide Traditional Name: acetic acid [1-(cetyloxymethyl)-2-thiazol-3-ium-3-yl-ethyl] ester iodide Formula: C24H44INO3S MolecularWeight: 553.58053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C[N+]1=CSC=C1)OC(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C[N+]1=CSC=C1)OC(=O)C.[I-]

InChI

InChI=1S/C24H44NO3S.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-27-21-24(28-23(2)26)20-25-17-19-29-22-25;/h17,19,22,24H,3-16,18,20-21H2,1-2H3;1H/q+1;/p-1