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

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C20H21N2O4S+ MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-2-21-9-11-22(12-10-21)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,2,9-12H2,1H3/p+1