2-[4-[(4-methyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenyl]-6-pyridin-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(4-methyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenyl]-6-pyridin-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-methyl-3-oxo-piperazin-1-ium-1-yl)methyl]phenyl]-6-(2-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-methyl-3-oxo-1-piperazin-1-iumyl)methyl]phenyl]-6-(2-pyridinyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-methyl-3-oxopiperazin-1-ium-1-yl)methyl]phenyl]-6-pyridin-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-[(3-keto-4-methyl-piperazin-1-ium-1-yl)methyl]phenyl]-6-(2-pyridyl)-1H-pyrimidin-4-one Formula: C21H22N5O2+ MolecularWeight: 376.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1=O)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=CC=N4

Isomeric SMILES

CN1CC[NH+](CC1=O)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=CC=N4

InChI

InChI=1S/C21H21N5O2/c1-25-10-11-26(14-20(25)28)13-15-5-7-16(8-6-15)21-23-18(12-19(27)24-21)17-4-2-3-9-22-17/h2-9,12H,10-11,13-14H2,1H3,(H,23,24,27)/p+1