2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate chloride

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate chloride Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate chloride CAS Name: 2-adamantanecarboxylic acid 2-(4-methyl-5-thiazol-3-iumyl)ethyl ester chloride IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate chloride Traditional Name: adamantane-2-carboxylic acid 2-(4-methylthiazol-3-ium-5-yl)ethyl ester chloride Formula: C17H24ClNO2S MolecularWeight: 341.89596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCOC(=O)C2C3CC4CC(C3)CC2C4.[Cl-]

Isomeric SMILES

CC1=C(SC=[NH+]1)CCOC(=O)C2C3CC4CC(C3)CC2C4.[Cl-]

InChI

InChI=1S/C17H23NO2S.ClH/c1-10-15(21-9-18-10)2-3-20-17(19)16-13-5-11-4-12(7-13)8-14(16)6-11;/h9,11-14,16H,2-8H2,1H3;1H