(2R)-2-(2-bromophenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(2-bromophenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(2-bromophenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(2-bromophenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(2-bromophenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(2-bromophenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C12H15BrN3+ MolecularWeight: 281.1716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC=CC=C2Br

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC=CC=C2Br

InChI

InChI=1S/C12H14BrN3/c13-11-4-2-1-3-10(11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2/p+1/t12-/m0/s1