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

Systemtic Name: 10,10-bis(oxidanylidene)-3-(4-propylpiperazin-4-ium-1-yl)carbonyl-thioxanthen-9-one Openeye Name: 10,10-dioxo-3-(4-propylpiperazin-4-ium-1-carbonyl)thioxanthen-9-one CAS Name: 10,10-dioxo-3-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]-9-thioxanthenone IUPAC Name: 10,10-dioxo-3-(4-propylpiperazin-4-ium-1-carbonyl)thioxanthen-9-one Traditional Name: 10,10-diketo-3-(4-propylpiperazin-4-ium-1-carbonyl)thioxanthen-9-one Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-2-9-22-10-12-23(13-11-22)21(25)15-7-8-17-19(14-15)28(26,27)18-6-4-3-5-16(18)20(17)24/h3-8,14H,2,9-13H2,1H3/p+1