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

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 3-methyladamantane-1-carboxylate chloride Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl 3-methyladamantane-1-carboxylate chloride CAS Name: 3-methyl-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 3-methyladamantane-1-carboxylate chloride Traditional Name: 3-methyladamantane-1-carboxylic acid 2-(4-methylthiazol-3-ium-5-yl)ethyl ester chloride Formula: C18H26ClNO2S MolecularWeight: 355.92254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2S.ClH/c1-12-15(22-11-19-12)3-4-21-16(20)18-8-13-5-14(9-18)7-17(2,6-13)10-18;/h11,13-14H,3-10H2,1-2H3;1H