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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester Formula: C24H30NO2S+ MolecularWeight: 396.5655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30NO2S/c1-17-22(28-16-25(17)15-18-5-3-2-4-6-18)7-8-27-23(26)24-12-19-9-20(13-24)11-21(10-19)14-24/h2-6,16,19-21H,7-15H2,1H3/q+1