methyl 8-cyano-3-(phenylmethyl)-3-azabicyclo[2.2.2]octane-5-carboxylate hydrochloride

Systemtic Name: methyl 8-cyano-3-(phenylmethyl)-3-azabicyclo[2.2.2]octane-5-carboxylate hydrochloride Openeye Name: methyl 3-benzyl-8-cyano-3-azabicyclo[2.2.2]octane-5-carboxylate hydrochloride CAS Name: 8-cyano-3-(phenylmethyl)-3-azabicyclo[2.2.2]octane-5-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-benzyl-8-cyano-3-azabicyclo[2.2.2]octane-5-carboxylate hydrochloride Traditional Name: 3-benzyl-8-cyano-3-azabicyclo[2.2.2]octane-5-carboxylic acid methyl ester hydrochloride Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2CC(C1N(C2)CC3=CC=CC=C3)C#N.Cl

Isomeric SMILES

COC(=O)C1CC2CC(C1N(C2)CC3=CC=CC=C3)C#N.Cl

InChI

InChI=1S/C17H20N2O2.ClH/c1-21-17(20)15-8-13-7-14(9-18)16(15)19(11-13)10-12-5-3-2-4-6-12;/h2-6,13-16H,7-8,10-11H2,1H3;1H