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

Systemtic Name: (2-methylsulfanylpyrimidin-5-yl)methyl-[(3R)-5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]azanium Openeye Name: (2-methylsulfanylpyrimidin-5-yl)methyl-[(3R)-5-oxo-1-phenethyl-pyrrolidin-3-yl]ammonium CAS Name: [2-(methylthio)-5-pyrimidinyl]methyl-[(3R)-5-oxo-1-phenethyl-3-pyrrolidinyl]ammonium IUPAC Name: (2-methylsulfanylpyrimidin-5-yl)methyl-[(3R)-5-oxo-1-phenethylpyrrolidin-3-yl]azanium Traditional Name: [(3R)-5-keto-1-phenethyl-pyrrolidin-3-yl]-[[2-(methylthio)pyrimidin-5-yl]methyl]ammonium Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH2+]C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH2+][C@@H]2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4OS/c1-24-18-20-11-15(12-21-18)10-19-16-9-17(23)22(13-16)8-7-14-5-3-2-4-6-14/h2-6,11-12,16,19H,7-10,13H2,1H3/p+1/t16-/m1/s1