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

Systemtic Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[2-[(3-bromophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[2-(3-bromobenzylidene)-3-keto-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C23H25BrN3O3+ MolecularWeight: 471.3669

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC(=CC=C4)Br)C2=O

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC(=CC=C4)Br)C2=O

InChI

InChI=1S/C23H24BrN3O3/c24-18-7-5-6-17(14-18)15-21-23(29)27(19-8-1-2-9-20(19)30-21)16-22(28)25-10-13-26-11-3-4-12-26/h1-2,5-9,14-15H,3-4,10-13,16H2,(H,25,28)/p+1