2-phenyl-2-piperidin-1-ium-4-yl-ethanenitrile chloride

Systemtic Name: 2-phenyl-2-piperidin-1-ium-4-yl-ethanenitrile chloride Openeye Name: 2-phenyl-2-piperidin-1-ium-4-yl-acetonitrile chloride CAS Name: 2-phenyl-2-(4-piperidin-1-iumyl)acetonitrile chloride IUPAC Name: 2-phenyl-2-piperidin-1-ium-4-ylacetonitrile chloride Traditional Name: 2-phenyl-2-piperidin-1-ium-4-yl-acetonitrile chloride Formula: C13H17ClN2 MolecularWeight: 236.74048

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(C#N)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1C[NH2+]CCC1C(C#N)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H16N2.ClH/c14-10-13(11-4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-5,12-13,15H,6-9H2;1H