4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-3-amine

Systemtic Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-3-amine Openeye Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-3-amine CAS Name: 4-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridin-1-iumamine IUPAC Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-3-amine Traditional Name: [4-[4-(2-pyrimidyl)piperazino]pyridin-1-ium-3-yl]amine Formula: C13H17N6+ MolecularWeight: 257.31428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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