2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]isoindole-1,3-dione Openeye Name: 2-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]isoindoline-1,3-dione CAS Name: 2-[6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3-benzothiazol-2-yl]isoindole-1,3-dione IUPAC Name: 2-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]isoindole-1,3-dione Traditional Name: 2-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]isoindoline-1,3-quinone Formula: C25H20N5O3S+ MolecularWeight: 470.523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C25H19N5O3S/c31-22(29-13-11-28(12-14-29)21-7-3-4-10-26-21)16-8-9-19-20(15-16)34-25(27-19)30-23(32)17-5-1-2-6-18(17)24(30)33/h1-10,15H,11-14H2/p+1