2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylene]-3-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(2-fluorophenyl)methylidene]-3-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(2-fluorophenyl)methylidene]-3-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-(2-fluorobenzylidene)-3-keto-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C22H23FN3O2S+ MolecularWeight: 412.500323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4F)C(=O)N3

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4F)C(=O)N3

InChI

InChI=1S/C22H22FN3O2S/c23-17-6-2-1-5-15(17)14-20-22(28)25-18-13-16(7-8-19(18)29-20)21(27)24-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,27)(H,25,28)/p+1