2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[2-[(3-bromophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-[2-(3-bromobenzylidene)-3-keto-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C23H25BrN3O4+ MolecularWeight: 487.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC(=CC=C4)Br)C2=O

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC(=CC=C4)Br)C2=O

InChI

InChI=1S/C23H24BrN3O4/c24-18-5-3-4-17(14-18)15-21-23(29)27(19-6-1-2-7-20(19)31-21)16-22(28)25-8-9-26-10-12-30-13-11-26/h1-7,14-15H,8-13,16H2,(H,25,28)/p+1