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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCOC(=O)C23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

CC1=C(SC=[NH+]1)CCOC(=O)C23CC4CC(C2)CC(C4)C3.[Cl-]

InChI

InChI=1S/C17H23NO2S.ClH/c1-11-15(21-10-18-11)2-3-20-16(19)17-7-12-4-13(8-17)6-14(5-12)9-17;/h10,12-14H,2-9H2,1H3;1H