(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethanenitrile

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethanenitrile Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)acetonitrile CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)acetonitrile IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)acetonitrile Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)acetonitrile Formula: C14H18ClN2+ MolecularWeight: 249.75912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C#N)C2=CC=CC=C2Cl

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H17ClN2/c15-13-8-4-3-7-12(13)14(11-16)17-9-5-1-2-6-10-17/h3-4,7-8,14H,1-2,5-6,9-10H2/p+1/t14-/m0/s1