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

Systemtic Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)-3-pyridin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(2H-1,2-benzothiazin-8-ylmethyl)pyridin-1-ium-3-yl]methyl]isoindoline-1,3-quinone Formula: C23H18N3O2S+ MolecularWeight: 400.47292

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N3O2S/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/q+1