N-(3-morpholin-4-ium-4-ylpropyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(3-morpholin-4-ium-4-ylpropyl)thioxanthene-3-carboxamide Formula: C21H23N2O5S+ MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H22N2O5S/c24-20-16-4-1-2-5-18(16)29(26,27)19-14-15(6-7-17(19)20)21(25)22-8-3-9-23-10-12-28-13-11-23/h1-2,4-7,14H,3,8-13H2,(H,22,25)/p+1