1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)CSC3=NC=CC=N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)CSC3=NC=CC=N3)OC)OC

InChI

InChI=1S/C20H26N4O3S/c1-15-11-17(26-2)18(27-3)12-16(15)13-23-7-9-24(10-8-23)19(25)14-28-20-21-5-4-6-22-20/h4-6,11-12H,7-10,13-14H2,1-3H3/p+1