2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,4-benzothiazine-6-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,4-benzothiazine-6-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2-fluorophenyl)methylene]-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-fluorobenzylidene)-3-keto-4-methyl-1,4-benzothiazine-6-carboxamide Formula: C29H29FN3O2S+ MolecularWeight: 502.622863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)SC(=CC5=CC=CC=C5F)C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)SC(=CC5=CC=CC=C5F)C1=O

InChI

InChI=1S/C29H28FN3O2S/c1-32-25-17-22(11-12-26(25)36-27(29(32)35)18-21-9-5-6-10-24(21)30)28(34)31-23-13-15-33(16-14-23)19-20-7-3-2-4-8-20/h2-12,17-18,23H,13-16,19H2,1H3,(H,31,34)/p+1