4-[(2-fluorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-[(2-fluorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: 4-[(2-fluorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(2-fluorophenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-[(2-fluorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 4-(2-fluorobenzyl)-3-keto-N-(2-morpholin-4-ium-4-ylethyl)-1,4-benzothiazine-6-carboxamide Formula: C22H25FN3O3S+ MolecularWeight: 430.515603

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4F

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4F

InChI

InChI=1S/C22H24FN3O3S/c23-18-4-2-1-3-17(18)14-26-19-13-16(5-6-20(19)30-15-21(26)27)22(28)24-7-8-25-9-11-29-12-10-25/h1-6,13H,7-12,14-15H2,(H,24,28)/p+1