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

Systemtic Name: 1-adamantyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate chloride Openeye Name: 1-adamantyl 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-adamantyl ester chloride IUPAC Name: 1-adamantyl 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-adamantyl ester chloride Formula: C18H26ClNO3S MolecularWeight: 371.92194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)OC23CC4CC(C2)CC(C4)C3)CCO.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)OC23CC4CC(C2)CC(C4)C3)CCO.[Cl-]

InChI

InChI=1S/C18H26NO3S.ClH/c1-12-16(2-3-20)23-11-19(12)10-17(21)22-18-7-13-4-14(8-18)6-15(5-13)9-18;/h11,13-15,20H,2-10H2,1H3;1H/q+1;/p-1