9,10,10-tris(oxidanylidene)-N-(2-pyrrolidin-1-ium-1-ylethyl)thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(2-pyrrolidin-1-ium-1-ylethyl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-(2-pyrrolidin-1-ium-1-ylethyl)thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(2-pyrrolidin-1-ium-1-ylethyl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(2-pyrrolidin-1-ium-1-ylethyl)thioxanthene-3-carboxamide Formula: C20H21N2O4S+ MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c23-19-15-5-1-2-6-17(15)27(25,26)18-13-14(7-8-16(18)19)20(24)21-9-12-22-10-3-4-11-22/h1-2,5-8,13H,3-4,9-12H2,(H,21,24)/p+1