9,10,10-tris(oxidanylidene)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]thioxanthene-3-carboxamide Formula: C26H31N2O4S+ MolecularWeight: 467.60034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)[NH+]5CCCCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)[NH+]5CCCCC5

InChI

InChI=1S/C26H30N2O4S/c29-24-20-9-3-4-10-22(20)33(31,32)23-17-19(11-12-21(23)24)25(30)27-18-26(13-5-1-6-14-26)28-15-7-2-8-16-28/h3-4,9-12,17H,1-2,5-8,13-16,18H2,(H,27,30)/p+1