[(1S)-1-(3-methyl-1,3-thiazol-3-ium-2-yl)octyl] benzoate iodide

Systemtic Name: [(1S)-1-(3-methyl-1,3-thiazol-3-ium-2-yl)octyl] benzoate iodide Openeye Name: [(1S)-1-(3-methylthiazol-3-ium-2-yl)octyl] benzoate iodide CAS Name: benzoic acid [(1S)-1-(3-methyl-2-thiazol-3-iumyl)octyl] ester iodide IUPAC Name: [(1S)-1-(3-methyl-1,3-thiazol-3-ium-2-yl)octyl] benzoate iodide Traditional Name: benzoic acid [(1S)-1-(3-methylthiazol-3-ium-2-yl)octyl] ester iodide Formula: C19H26INO2S MolecularWeight: 459.38471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=[N+](C=CS1)C)OC(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCCCCCC[C@@H](C1=[N+](C=CS1)C)OC(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C19H26NO2S.HI/c1-3-4-5-6-10-13-17(18-20(2)14-15-23-18)22-19(21)16-11-8-7-9-12-16;/h7-9,11-12,14-15,17H,3-6,10,13H2,1-2H3;1H/q+1;/p-1/t17-;/m0./s1