4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-carbonitrile chloride

Systemtic Name: 4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-carbonitrile chloride Openeye Name: 1-benzyl-4-hydroxy-piperidin-1-ium-4-carbonitrile chloride CAS Name: 4-hydroxy-1-(phenylmethyl)-4-piperidin-1-iumcarbonitrile chloride IUPAC Name: 1-benzyl-4-hydroxypiperidin-1-ium-4-carbonitrile chloride Traditional Name: 1-benzyl-4-hydroxy-piperidin-1-ium-4-carbonitrile chloride Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C#N)O)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1C[NH+](CCC1(C#N)O)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H16N2O.ClH/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;/h1-5,16H,6-10H2;1H