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

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(1-adamantyl)ethanoate chloride Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl 2-(1-adamantyl)acetate chloride CAS Name: 2-(1-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-(1-adamantyl)acetate chloride Traditional Name: 2-(1-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)CC23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2S.ClH/c1-12-16(22-11-19-12)2-3-21-17(20)10-18-7-13-4-14(8-18)6-15(5-13)9-18;/h11,13-15H,2-10H2,1H3;1H