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

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(2-adamantyl)ethanoate chloride Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl 2-(2-adamantyl)acetate chloride CAS Name: 2-(2-adamantyl)acetic acid 2-(4-methyl-5-thiazol-3-iumyl)ethyl ester chloride IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(2-adamantyl)acetate chloride Traditional Name: 2-(2-adamantyl)acetic acid 2-(4-methylthiazol-3-ium-5-yl)ethyl ester chloride Formula: C18H26ClNO2S MolecularWeight: 355.92254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCOC(=O)CC2C3CC4CC(C3)CC2C4.[Cl-]

Isomeric SMILES

CC1=C(SC=[NH+]1)CCOC(=O)CC2C3CC4CC(C3)CC2C4.[Cl-]

InChI

InChI=1S/C18H25NO2S.ClH/c1-11-17(22-10-19-11)2-3-21-18(20)9-16-14-5-12-4-13(7-14)8-15(16)6-12;/h10,12-16H,2-9H2,1H3;1H