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

Systemtic Name: 1-adamantylmethyl 2-(3-methylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: 1-adamantylmethyl 2-(3-methylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)acetic acid 1-adamantylmethyl ester chloride IUPAC Name: 1-adamantylmethyl 2-(3-methylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(3-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=C[N+](=CC=C1)CC(=O)OCC23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C19H26NO2.ClH/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;1H/q+1;/p-1