[(3R)-1-(2,2-dimethylpropyl)-5-oxidanylidene-pyrrolidin-3-yl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium

Systemtic Name: [(3R)-1-(2,2-dimethylpropyl)-5-oxidanylidene-pyrrolidin-3-yl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Openeye Name: [(3R)-1-(2,2-dimethylpropyl)-5-oxo-pyrrolidin-3-yl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]ammonium CAS Name: [(3R)-1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-[[2-(methylthio)-5-pyrimidinyl]methyl]ammonium IUPAC Name: [(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Traditional Name: [(3R)-5-keto-1-neopentyl-pyrrolidin-3-yl]-[[2-(methylthio)pyrimidin-5-yl]methyl]ammonium Formula: C15H25N4OS+ MolecularWeight: 309.4502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC(CC1=O)[NH2+]CC2=CN=C(N=C2)SC

Isomeric SMILES

CC(C)(C)CN1C[C@@H](CC1=O)[NH2+]CC2=CN=C(N=C2)SC

InChI

InChI=1S/C15H24N4OS/c1-15(2,3)10-19-9-12(5-13(19)20)16-6-11-7-17-14(21-4)18-8-11/h7-8,12,16H,5-6,9-10H2,1-4H3/p+1/t12-/m1/s1