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

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester Formula: C25H30NO3S+ MolecularWeight: 424.5756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30NO3S/c1-16-23(30-15-26(16)14-22(27)19-5-3-2-4-6-19)7-8-29-25(28)24-20-10-17-9-18(12-20)13-21(24)11-17/h2-6,15,17-18,20-21,24H,7-14H2,1H3/q+1