N-(4-methylpiperazin-4-ium-1-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(4-methylpiperazin-4-ium-1-yl)thioxanthene-3-carboxamide Formula: C19H20N3O4S+ MolecularWeight: 386.4448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C19H19N3O4S/c1-21-8-10-22(11-9-21)20-19(24)13-6-7-15-17(12-13)27(25,26)16-5-3-2-4-14(16)18(15)23/h2-7,12H,8-11H2,1H3,(H,20,24)/p+1