2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione chloride

Systemtic Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione chloride Openeye Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindoline-1,3-dione chloride CAS Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)-3-pyridin-1-iumyl]methyl]isoindole-1,3-dione chloride IUPAC Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione chloride Traditional Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindoline-1,3-quinone chloride Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C[N+](=CC=C3)CC4=CC=CC5=C4SNC=C5.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C[N+](=CC=C3)CC4=CC=CC5=C4SNC=C5.[Cl-]

InChI

InChI=1S/C23H18N3O2S.ClH/c27-22-19-8-1-2-9-20(19)23(28)26(22)14-16-5-4-12-25(13-16)15-18-7-3-6-17-10-11-24-29-21(17)18;/h1-13,24H,14-15H2;1H/q+1;/p-1