2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanenitrile

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanenitrile Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)acetonitrile CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)acetonitrile IUPAC Name: 2-(3-oxopiperazin-1-ium-1-yl)acetonitrile Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)acetonitrile Formula: C6H10N3O+ MolecularWeight: 140.1631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC#N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC#N

InChI

InChI=1S/C6H9N3O/c7-1-3-9-4-2-8-6(10)5-9/h2-5H2,(H,8,10)/p+1