2-(2-morpholin-4-ylethyl)-2-oxidanidyl-5,5-bis(oxidanylidene)-10H-pyridazino[4,5-b][1,4]benzothiazin-2-ium-1-one

Systemtic Name: 2-(2-morpholin-4-ylethyl)-2-oxidanidyl-5,5-bis(oxidanylidene)-10H-pyridazino[4,5-b][1,4]benzothiazin-2-ium-1-one Openeye Name: 2-(2-morpholinoethyl)-2-oxido-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-2-ium-1-one CAS Name: 2-[2-(4-morpholinyl)ethyl]-2-oxido-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-2-ium-1-one IUPAC Name: 2-(2-morpholin-4-ylethyl)-2-oxido-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-2-ium-1-one Traditional Name: 5,5-diketo-2-(2-morpholinoethyl)-2-oxido-10H-pyridazino[4,5-b][1,4]benzothiazin-2-ium-1-one Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2(C(=O)C3=C(C=N2)S(=O)(=O)C4=CC=CC=C4N3)[O-]

Isomeric SMILES

C1COCCN1CC[N+]2(C(=O)C3=C(C=N2)S(=O)(=O)C4=CC=CC=C4N3)[O-]

InChI

InChI=1S/C16H18N4O5S/c21-16-15-14(26(23,24)13-4-2-1-3-12(13)18-15)11-17-20(16,22)8-5-19-6-9-25-10-7-19/h1-4,11,18H,5-10H2