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

Systemtic Name: 1-adamantylmethyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate chloride Openeye Name: 1-adamantylmethyl 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 1-adamantylmethyl ester chloride IUPAC Name: 1-adamantylmethyl 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 1-adamantylmethyl ester chloride Formula: C19H28ClNO3S MolecularWeight: 385.94852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)OCC23CC4CC(C2)CC(C4)C3)CCO.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)OCC23CC4CC(C2)CC(C4)C3)CCO.[Cl-]

InChI

InChI=1S/C19H28NO3S.ClH/c1-13-17(2-3-21)24-12-20(13)10-18(22)23-11-19-7-14-4-15(8-19)6-16(5-14)9-19;/h12,14-16,21H,2-11H2,1H3;1H/q+1;/p-1