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

Systemtic Name: 2-(1-adamantyl)ethyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate Openeye Name: 2-(1-adamantyl)ethyl 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 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 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 2-(1-adamantyl)ethyl ester Formula: C20H30NO3S+ MolecularWeight: 364.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)OCCC23CC4CC(C2)CC(C4)C3)CCO

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)OCCC23CC4CC(C2)CC(C4)C3)CCO

InChI

InChI=1S/C20H30NO3S/c1-14-18(2-4-22)25-13-21(14)12-19(23)24-5-3-20-9-15-6-16(10-20)8-17(7-15)11-20/h13,15-17,22H,2-12H2,1H3/q+1