2-[[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione chloride

Systemtic Name: 2-[[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione chloride Openeye Name: 2-[[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]pyridin-1-ium-3-yl]methyl]isoindoline-1,3-dione chloride CAS Name: 2-[[1-[[10-(methoxymethyl)-8-pyrazino[2,3-b][1,4]benzothiazinyl]methyl]-3-pyridin-1-iumyl]methyl]isoindole-1,3-dione chloride IUPAC Name: 2-[[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione chloride Traditional Name: 2-[[1-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]pyridin-1-ium-3-yl]methyl]isoindoline-1,3-quinone chloride Formula: C27H22ClN5O3S MolecularWeight: 532.01328

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C2=C(C=CC(=C2)C[N+]3=CC=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O)SC6=NC=CN=C61.[Cl-]

Isomeric SMILES

COCN1C2=C(C=CC(=C2)C[N+]3=CC=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O)SC6=NC=CN=C61.[Cl-]

InChI

InChI=1S/C27H22N5O3S.ClH/c1-35-17-32-22-13-18(8-9-23(22)36-25-24(32)28-10-11-29-25)14-30-12-4-5-19(15-30)16-31-26(33)20-6-2-3-7-21(20)27(31)34;/h2-13,15H,14,16-17H2,1H3;1H/q+1;/p-1