(2R)-2-(3-chlorophenyl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3-chlorophenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3-chlorophenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3-chlorophenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-chlorophenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3-chlorophenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C13H16ClN2+ MolecularWeight: 235.73254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H15ClN2/c14-12-6-4-5-11(9-12)13(10-15)16-7-2-1-3-8-16/h4-6,9,13H,1-3,7-8H2/p+1/t13-/m0/s1