piperidin-1-ium-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: piperidin-1-ium-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: piperidin-1-ium-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: 4-piperidin-1-iumyl-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: piperidin-1-ium-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: piperidin-1-ium-4-yl-[4-(2-pyrimidyl)piperazino]methanone Formula: C14H22N5O+ MolecularWeight: 276.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1C[NH2+]CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H21N5O/c20-13(12-2-6-15-7-3-12)18-8-10-19(11-9-18)14-16-4-1-5-17-14/h1,4-5,12,15H,2-3,6-11H2/p+1