(2R)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O2S/c20-17(18-11-6-7-12-18)16(14-8-2-1-3-9-14)22-15-10-4-5-13-19(15)21/h1-5,8-10,13,16H,6-7,11-12H2/t16-/m1/s1