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

Systemtic Name: 2-[4-[[(2R)-4-ethyl-2-methyl-3-oxidanylidene-piperazin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[[(2R)-4-ethyl-2-methyl-3-oxo-piperazin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-[[(2R)-4-ethyl-2-methyl-3-oxo-1-piperazin-1-iumyl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[(2R)-4-ethyl-2-methyl-3-oxopiperazin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-[[(2R)-4-ethyl-3-keto-2-methyl-piperazin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C19H25N4O2+ MolecularWeight: 341.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](C(C1=O)C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C

Isomeric SMILES

CCN1CC[NH+]([C@@H](C1=O)C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C

InChI

InChI=1S/C19H24N4O2/c1-4-22-9-10-23(14(3)19(22)25)12-15-5-7-16(8-6-15)18-20-13(2)11-17(24)21-18/h5-8,11,14H,4,9-10,12H2,1-3H3,(H,20,21,24)/p+1/t14-/m1/s1