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

Systemtic Name: 1-adamantyl 2-(4-methylpyridin-1-ium-1-yl)ethanoate Openeye Name: 1-adamantyl 2-(4-methylpyridin-1-ium-1-yl)acetate CAS Name: 2-(4-methyl-1-pyridin-1-iumyl)acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-(4-methylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)acetic acid 1-adamantyl ester Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO2/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/q+1