3-azanyl-3-(4-pyridin-2-ylpiperazin-1-ium-1-ylidene)propanenitrile

Systemtic Name: 3-azanyl-3-(4-pyridin-2-ylpiperazin-1-ium-1-ylidene)propanenitrile Openeye Name: 3-amino-3-[4-(2-pyridyl)piperazin-1-ium-1-ylidene]propanenitrile CAS Name: 3-amino-3-[4-(2-pyridinyl)-1-piperazin-1-iumylidene]propanenitrile IUPAC Name: 3-amino-3-(4-pyridin-2-ylpiperazin-1-ium-1-ylidene)propanenitrile Traditional Name: 3-amino-3-[4-(2-pyridyl)piperazin-1-ium-1-ylidene]propionitrile Formula: C12H16N5+ MolecularWeight: 230.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(CC#N)N)CCN1C2=CC=CC=N2

Isomeric SMILES

C1C[N+](=C(CC#N)N)CCN1C2=CC=CC=N2

InChI

InChI=1S/C12H15N5/c13-5-4-11(14)16-7-9-17(10-8-16)12-3-1-2-6-15-12/h1-3,6,14H,4,7-10H2/p+1