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

Systemtic Name: 2-(1-adamantyl)ethyl 2-(3-methylpyridin-1-ium-1-yl)ethanoate Openeye Name: 2-(1-adamantyl)ethyl 2-(3-methylpyridin-1-ium-1-yl)acetate CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)acetic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 2-(3-methylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(3-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=C[N+](=CC=C1)CC(=O)OCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(=O)OCCC23CC4CC(C2)CC(C4)C3

InChI

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