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

Systemtic Name: octyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate chloride Openeye Name: octyl 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 octyl ester chloride IUPAC Name: octyl 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 octyl ester chloride Formula: C16H28ClNO3S MolecularWeight: 349.91642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28NO3S.ClH/c1-3-4-5-6-7-8-11-20-16(19)12-17-13-21-15(9-10-18)14(17)2;/h13,18H,3-12H2,1-2H3;1H/q+1;/p-1