1-adamantyl 2-(3-methylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: 1-adamantyl 2-(3-methylpyridin-1-ium-1-yl)ethanoate Openeye Name: 1-adamantyl 2-(3-methylpyridin-1-ium-1-yl)acetate CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-(3-methylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(3-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=C[N+](=CC=C1)CC(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

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