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

Systemtic Name: 1-adamantylmethyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate Openeye Name: 1-adamantylmethyl 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 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 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 1-adamantylmethyl ester Formula: C19H28NO3S+ MolecularWeight: 350.49552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28NO3S/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/q+1