3-azanyl-3-[4-(6-chloranylpyridin-1-ium-2-yl)piperazin-1-ium-1-ylidene]propanenitrile

Systemtic Name: 3-azanyl-3-[4-(6-chloranylpyridin-1-ium-2-yl)piperazin-1-ium-1-ylidene]propanenitrile Openeye Name: 3-amino-3-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-ium-1-ylidene]propanenitrile CAS Name: 3-amino-3-[4-(6-chloro-2-pyridin-1-iumyl)-1-piperazin-1-iumylidene]propanenitrile IUPAC Name: 3-amino-3-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-ium-1-ylidene]propanenitrile Traditional Name: 3-amino-3-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-ium-1-ylidene]propionitrile Formula: C12H16ClN5+2 MolecularWeight: 265.74194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(CC#N)N)CCN1C2=[NH+]C(=CC=C2)Cl

Isomeric SMILES

C1C[N+](=C(CC#N)N)CCN1C2=[NH+]C(=CC=C2)Cl

InChI

InChI=1S/C12H14ClN5/c13-10-2-1-3-12(16-10)18-8-6-17(7-9-18)11(15)4-5-14/h1-3,15H,4,6-9H2/p+2