2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(1-adamantyl)ethanoate

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(1-adamantyl)ethanoate Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic 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 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester Formula: C26H32NO3S+ MolecularWeight: 438.60218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32NO3S/c1-18-24(31-17-27(18)16-23(28)22-5-3-2-4-6-22)7-8-30-25(29)15-26-12-19-9-20(13-26)11-21(10-19)14-26/h2-6,17,19-21H,7-16H2,1H3/q+1