3-(4,4-dimethylpiperazin-4-ium-1-yl)carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one iodide

Systemtic Name: 3-(4,4-dimethylpiperazin-4-ium-1-yl)carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one iodide Openeye Name: 3-(4,4-dimethylpiperazin-4-ium-1-carbonyl)-10,10-dioxo-thioxanthen-9-one iodide CAS Name: 3-[(4,4-dimethyl-1-piperazin-4-iumyl)-oxomethyl]-10,10-dioxo-9-thioxanthenone iodide IUPAC Name: 3-(4,4-dimethylpiperazin-4-ium-1-carbonyl)-10,10-dioxothioxanthen-9-one iodide Traditional Name: 3-(4,4-dimethylpiperazin-4-ium-1-carbonyl)-10,10-diketo-thioxanthen-9-one iodide Formula: C20H21IN2O4S MolecularWeight: 512.36121

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C.[I-]

InChI

InChI=1S/C20H21N2O4S.HI/c1-22(2)11-9-21(10-12-22)20(24)14-7-8-16-18(13-14)27(25,26)17-6-4-3-5-15(17)19(16)23;/h3-8,13H,9-12H2,1-2H3;1H/q+1;/p-1