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

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)ethanoate Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)acetate CAS Name: 2-(3-methyl-1-adamantyl)acetic acid 2-(4-methyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(4-methyl-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-methylthiazol-3-ium-5-yl)ethyl ester Formula: C19H28NO2S+ MolecularWeight: 334.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCOC(=O)CC23CC4CC(C2)CC(C4)(C3)C

Isomeric SMILES

CC1=C(SC=[NH+]1)CCOC(=O)CC23CC4CC(C2)CC(C4)(C3)C

InChI

InChI=1S/C19H27NO2S/c1-13-16(23-12-20-13)3-4-22-17(21)10-19-8-14-5-15(9-19)7-18(2,6-14)11-19/h12,14-15H,3-11H2,1-2H3/p+1