2-[4-(4-bromanyl-2-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(4-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(4-bromo-2-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(4-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C16H22BrFN3O2+ MolecularWeight: 387.267183

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Br)F

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H21BrFN3O2/c1-19(2)15(22)11-20-6-3-7-21(9-8-20)16(23)13-5-4-12(17)10-14(13)18/h4-5,10H,3,6-9,11H2,1-2H3/p+1