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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 10,10-diketo-3-(4-methylpiperazin-4-ium-1-carbonyl)thioxanthen-9-one Formula: C19H19N2O4S+ MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-20-8-10-21(11-9-20)19(23)13-6-7-15-17(12-13)26(24,25)16-5-3-2-4-14(16)18(15)22/h2-7,12H,8-11H2,1H3/p+1