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

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(3-pyrrolidin-1-ium-1-ylpropyl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(3-pyrrolidin-1-ium-1-ylpropyl)thioxanthene-3-carboxamide Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c24-20-16-6-1-2-7-18(16)28(26,27)19-14-15(8-9-17(19)20)21(25)22-10-5-13-23-11-3-4-12-23/h1-2,6-9,14H,3-5,10-13H2,(H,22,25)/p+1