(2R)-2-(4-bromophenyl)-3-morpholin-4-ium-4-yl-propanenitrile

Systemtic Name: (2R)-2-(4-bromophenyl)-3-morpholin-4-ium-4-yl-propanenitrile Openeye Name: (2R)-2-(4-bromophenyl)-3-morpholin-4-ium-4-yl-propanenitrile CAS Name: (2R)-2-(4-bromophenyl)-3-(4-morpholin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(4-bromophenyl)-3-morpholin-4-ium-4-ylpropanenitrile Traditional Name: (2R)-2-(4-bromophenyl)-3-morpholin-4-ium-4-yl-propionitrile Formula: C13H16BrN2O+ MolecularWeight: 296.18294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

C1COCC[NH+]1C[C@H](C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN2O/c14-13-3-1-11(2-4-13)12(9-15)10-16-5-7-17-8-6-16/h1-4,12H,5-8,10H2/p+1/t12-/m0/s1