N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H22N2O4S/c1-2-23-11-5-6-15(23)13-22-21(25)14-9-10-17-19(12-14)28(26,27)18-8-4-3-7-16(18)20(17)24/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,22,25)/p+1/t15-/m1/s1