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

Systemtic Name: ethyl 1-[(2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxylate CAS Name: 1-[[2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carbonyl)nipecotic acid ethyl ester Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

InChI

InChI=1S/C21H27N3O5S/c1-2-29-21(27)15-4-3-7-24(13-15)19(26)14-5-6-17-16(12-14)22-18(25)20(30-17)23-8-10-28-11-9-23/h5-6,12,15,20H,2-4,7-11,13H2,1H3,(H,22,25)/p+1