6-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C19H24N4O4S/c24-17-13-28-16-2-1-14(11-15(16)20-17)19(26)23-5-3-21(4-6-23)12-18(25)22-7-9-27-10-8-22/h1-2,11H,3-10,12-13H2,(H,20,24)/p+1