(2,6-dimethylpyridin-3-yl) adamantane-1-carboxylate hydrochloride

Systemtic Name: (2,6-dimethylpyridin-3-yl) adamantane-1-carboxylate hydrochloride Openeye Name: (2,6-dimethyl-3-pyridyl) adamantane-1-carboxylate hydrochloride CAS Name: 1-adamantanecarboxylic acid (2,6-dimethyl-3-pyridinyl) ester hydrochloride IUPAC Name: (2,6-dimethylpyridin-3-yl) adamantane-1-carboxylate hydrochloride Traditional Name: adamantane-1-carboxylic acid (2,6-dimethyl-3-pyridyl) ester hydrochloride Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C.Cl

Isomeric SMILES

CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C.Cl

InChI

InChI=1S/C18H23NO2.ClH/c1-11-3-4-16(12(2)19-11)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18;/h3-4,13-15H,5-10H2,1-2H3;1H