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(6-methylpyridin-3-yl) adamantane-1-carboxylate hydrate hydrochloride

(6-methylpyridin-3-yl) adamantane-1-carboxylate hydrate hydrochloride

Systemtic Name:(6-methylpyridin-3-yl) adamantane-1-carboxylate hydrate hydrochloride
Openeye Name:(6-methyl-3-pyridyl) adamantane-1-carboxylate hydrate hydrochloride
CAS Name:1-adamantanecarboxylic acid (6-methyl-3-pyridinyl) ester hydrate hydrochloride
IUPAC Name:(6-methylpyridin-3-yl) adamantane-1-carboxylate hydrate hydrochloride
Traditional Name:adamantane-1-carboxylic acid (6-methyl-3-pyridyl) ester hydrate hydrochloride
Formula: C17H24ClNO3
MolecularWeight: 325.83036
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H21NO2.ClH.H2O/c1-11-2-3-15(10-18-11)20-16(19)17-7-12-4-13(8-17)6-14(5-12)9-17;;/h2-3,10,12-14H,4-9H2,1H3;1H;1H2


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