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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl adamantane-2-carboxylate Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate CAS Name: 2-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-2-carboxylate Traditional Name: adamantane-2-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)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C3C4CC5CC(C4)CC3C5

InChI

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