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

Systemtic Name: ethyl 4-[(2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C20H27N4O5S+ MolecularWeight: 435.51718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

InChI

InChI=1S/C20H26N4O5S/c1-2-29-20(27)24-7-5-22(6-8-24)18(26)14-3-4-16-15(13-14)21-17(25)19(30-16)23-9-11-28-12-10-23/h3-4,13,19H,2,5-12H2,1H3,(H,21,25)/p+1