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

Systemtic Name: 2-(1-adamantyl)ethyl 2-(2-methylpyridin-1-ium-1-yl)ethanoate Openeye Name: 2-(1-adamantyl)ethyl 2-(2-methylpyridin-1-ium-1-yl)acetate CAS Name: 2-(2-methyl-1-pyridin-1-iumyl)acetic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 2-(2-methylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2-methylpyridin-1-ium-1-yl)acetic acid 2-(1-adamantyl)ethyl ester Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)OCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)OCCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28NO2/c1-15-4-2-3-6-21(15)14-19(22)23-7-5-20-11-16-8-17(12-20)10-18(9-16)13-20/h2-4,6,16-18H,5,7-14H2,1H3/q+1