9,10,10-tris(oxidanylidene)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thioxanthene-3-carboxamide Formula: C26H25N2O4S+ MolecularWeight: 461.5527

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N2O4S/c29-25-20-10-4-5-11-23(20)33(31,32)24-16-19(12-13-21(24)25)26(30)27-17-22(28-14-6-7-15-28)18-8-2-1-3-9-18/h1-5,8-13,16,22H,6-7,14-15,17H2,(H,27,30)/p+1/t22-/m0/s1