2-[2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[2-[(2-fluorophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[2-(2-fluorobenzylidene)-3-keto-1,4-benzoxazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C24H27FN3O3+ MolecularWeight: 424.487883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC=CC=C4F)C2=O

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC=CC=C4F)C2=O

InChI

InChI=1S/C24H26FN3O3/c25-19-9-2-1-8-18(19)16-22-24(30)28(20-10-3-4-11-21(20)31-22)17-23(29)26-12-7-15-27-13-5-6-14-27/h1-4,8-11,16H,5-7,12-15,17H2,(H,26,29)/p+1