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

Systemtic Name: 1-adamantyl 2-(3-methylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: 1-adamantyl 2-(3-methylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)acetic acid 1-adamantyl ester chloride IUPAC Name: 1-adamantyl 2-(3-methylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)acetic acid 1-adamantyl ester chloride Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO2.ClH/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;1H/q+1;/p-1