(2-ethyl-6-methyl-pyridin-3-yl) adamantane-1-carboxylate hydrate hydrochloride

Systemtic Name: (2-ethyl-6-methyl-pyridin-3-yl) adamantane-1-carboxylate hydrate hydrochloride Openeye Name: (2-ethyl-6-methyl-3-pyridyl) adamantane-1-carboxylate hydrate hydrochloride CAS Name: 1-adamantanecarboxylic acid (2-ethyl-6-methyl-3-pyridinyl) ester hydrate hydrochloride IUPAC Name: (2-ethyl-6-methylpyridin-3-yl) adamantane-1-carboxylate hydrate hydrochloride Traditional Name: adamantane-1-carboxylic acid (2-ethyl-6-methyl-3-pyridyl) ester hydrate hydrochloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=N1)C)OC(=O)C23CC4CC(C2)CC(C4)C3.O.Cl

Isomeric SMILES

CCC1=C(C=CC(=N1)C)OC(=O)C23CC4CC(C2)CC(C4)C3.O.Cl

InChI

InChI=1S/C19H25NO2.ClH.H2O/c1-3-16-17(5-4-12(2)20-16)22-18(21)19-9-13-6-14(10-19)8-15(7-13)11-19;;/h4-5,13-15H,3,6-11H2,1-2H3;1H;1H2