2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-isopropyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylthio]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-isopropyl-2-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidin-4-one Formula: C14H24N3OS+ MolecularWeight: 282.42486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC[NH+]2CCCCC2

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC[NH+]2CCCCC2

InChI

InChI=1S/C14H23N3OS/c1-11(2)12-10-13(18)16-14(15-12)19-9-8-17-6-4-3-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,16,18)/p+1