5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-2-amine

Systemtic Name: 5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-2-amine Openeye Name: 5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-2-amine CAS Name: 5-[4-(2-pyrimidinyl)-1-piperazinyl]-2-pyridin-1-iumamine IUPAC Name: 5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-2-amine Traditional Name: [5-[4-(2-pyrimidyl)piperazino]pyridin-1-ium-2-yl]amine Formula: C13H17N6+ MolecularWeight: 257.31428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C[NH+]=C(C=C2)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C[NH+]=C(C=C2)N)C3=NC=CC=N3

InChI

InChI=1S/C13H16N6/c14-12-3-2-11(10-17-12)18-6-8-19(9-7-18)13-15-4-1-5-16-13/h1-5,10H,6-9H2,(H2,14,17)/p+1