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

Systemtic Name: 6-methyl-2-[3-[[4-(6-methylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[3-[[4-(6-methyl-2-pyridyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[3-[[4-(6-methyl-2-pyridinyl)-1-piperazin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[3-[[4-(6-methylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[3-[[4-(6-methyl-2-pyridyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H26N5O+ MolecularWeight: 376.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)C

Isomeric SMILES

CC1=NC(=CC=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)C

InChI

InChI=1S/C22H25N5O/c1-16-5-3-8-20(23-16)27-11-9-26(10-12-27)15-18-6-4-7-19(14-18)22-24-17(2)13-21(28)25-22/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,28)/p+1