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

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid 2-(4-methyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid 2-(4-methylthiazol-3-ium-5-yl)ethyl ester Formula: C17H24NO2S+ MolecularWeight: 306.44296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2S/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/p+1