1-adamantyl 2-(4-methylpyridin-1-ium-1-yl)ethanoate chloride

Systemtic Name: 1-adamantyl 2-(4-methylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: 1-adamantyl 2-(4-methylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(4-methyl-1-pyridin-1-iumyl)acetic acid 1-adamantyl ester chloride IUPAC Name: 1-adamantyl 2-(4-methylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)acetic acid 1-adamantyl ester chloride Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)OC23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)OC23CC4CC(C2)CC(C4)C3.[Cl-]

InChI

InChI=1S/C18H24NO2.ClH/c1-13-2-4-19(5-3-13)12-17(20)21-18-9-14-6-15(10-18)8-16(7-14)11-18;/h2-5,14-16H,6-12H2,1H3;1H/q+1;/p-1