2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylanthracene-9,10-dione

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylanthracene-9,10-dione Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylanthracene-9,10-dione CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]anthracene-9,10-dione IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylanthracene-9,10-dione Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-9,10-anthraquinone Formula: C23H20N3O4S+ MolecularWeight: 434.4876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H19N3O4S/c27-22-17-5-1-2-6-18(17)23(28)20-15-16(8-9-19(20)22)31(29,30)26-13-11-25(12-14-26)21-7-3-4-10-24-21/h1-10,15H,11-14H2/p+1