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

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C25H25N2O5S+ MolecularWeight: 465.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CO5

InChI

InChI=1S/C25H24N2O5S/c28-24-18-7-2-3-9-22(18)33(30,31)23-15-17(10-11-19(23)24)25(29)26-16-20(21-8-6-14-32-21)27-12-4-1-5-13-27/h2-3,6-11,14-15,20H,1,4-5,12-13,16H2,(H,26,29)/p+1/t20-/m1/s1