4-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: 4-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(4-fluorophenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 4-(4-fluorobenzyl)-3-keto-N-(3-morpholin-4-ium-4-ylpropyl)-1,4-benzothiazine-6-carboxamide Formula: C23H27FN3O3S+ MolecularWeight: 444.542183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O3S/c24-19-5-2-17(3-6-19)15-27-20-14-18(4-7-21(20)31-16-22(27)28)23(29)25-8-1-9-26-10-12-30-13-11-26/h2-7,14H,1,8-13,15-16H2,(H,25,29)/p+1