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

Systemtic Name: 2-[3-(cyanomethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate chloride Openeye Name: 2-[3-(cyanomethyl)-4-methyl-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate chloride CAS Name: 1-adamantanecarboxylic acid 2-[3-(cyanomethyl)-4-methyl-5-thiazol-3-iumyl]ethyl ester chloride IUPAC Name: 2-[3-(cyanomethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate chloride Traditional Name: adamantane-1-carboxylic acid 2-[3-(cyanomethyl)-4-methyl-thiazol-3-ium-5-yl]ethyl ester chloride Formula: C19H25ClN2O2S MolecularWeight: 380.932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N2O2S.ClH/c1-13-17(24-12-21(13)4-3-20)2-5-23-18(22)19-9-14-6-15(10-19)8-16(7-14)11-19;/h12,14-16H,2,4-11H2,1H3;1H/q+1;/p-1