1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazino]propan-1-one Formula: C12H19N4O+ MolecularWeight: 235.30546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)N

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)N

InChI

InChI=1S/C12H18N4O/c1-2-12(17)16-7-5-15(6-8-16)11-4-3-10(13)9-14-11/h3-4,9H,2,5-8,13H2,1H3/p+1