1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]piperidin-1-ium-4-carboxamide Formula: C16H25N6O2+ MolecularWeight: 333.4087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N6O2/c17-15(24)13-2-6-20(7-3-13)12-14(23)21-8-10-22(11-9-21)16-18-4-1-5-19-16/h1,4-5,13H,2-3,6-12H2,(H2,17,24)/p+1