2-(1-adamantyl)ethyl 2-(4-methylpyridin-1-ium-1-yl)ethanoate chloride

Systemtic Name: 2-(1-adamantyl)ethyl 2-(4-methylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: 2-(1-adamantyl)ethyl 2-(4-methylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(4-methyl-1-pyridin-1-iumyl)acetic acid 2-(1-adamantyl)ethyl ester chloride IUPAC Name: 2-(1-adamantyl)ethyl 2-(4-methylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)acetic acid 2-(1-adamantyl)ethyl ester chloride Formula: C20H28ClNO2 MolecularWeight: 349.89482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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