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

Systemtic Name: 1-adamantylmethyl 2-(2-methylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: 1-adamantylmethyl 2-(2-methylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(2-methyl-1-pyridin-1-iumyl)acetic acid 1-adamantylmethyl ester chloride IUPAC Name: 1-adamantylmethyl 2-(2-methylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(2-methylpyridin-1-ium-1-yl)acetic acid 1-adamantylmethyl ester chloride Formula: C19H26ClNO2 MolecularWeight: 335.86824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)OCC23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)OCC23CC4CC(C2)CC(C4)C3.[Cl-]

InChI

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