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

Systemtic Name: 1-adamantylmethyl 2-(3-methylpyridin-1-ium-1-yl)ethanoate Openeye Name: 1-adamantylmethyl 2-(3-methylpyridin-1-ium-1-yl)acetate CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)acetic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 2-(3-methylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)acetic acid 1-adamantylmethyl ester Formula: C19H26NO2+ MolecularWeight: 300.41524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC(=O)OCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(=O)OCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H26NO2/c1-14-3-2-4-20(11-14)12-18(21)22-13-19-8-15-5-16(9-19)7-17(6-15)10-19/h2-4,11,15-17H,5-10,12-13H2,1H3/q+1