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

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)ethanoate Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)acetate CAS Name: 2-(3-methyl-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-(3-methyl-1-adamantyl)acetate Traditional Name: 2-(3-methyl-1-adamantyl)acetic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester Formula: C27H34NO3S+ MolecularWeight: 452.62876

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34NO3S/c1-19-24(32-18-28(19)16-23(29)22-6-4-3-5-7-22)8-9-31-25(30)15-27-13-20-10-21(14-27)12-26(2,11-20)17-27/h3-7,18,20-21H,8-17H2,1-2H3/q+1