(2-bromanyl-5-fluoranyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (2-bromanyl-5-fluoranyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-bromo-5-fluoro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-bromo-5-fluorophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-bromo-5-fluorophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-bromo-5-fluoro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H17BrFN2O+ MolecularWeight: 316.189283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrFN2O/c1-16-5-2-6-17(8-7-16)13(18)11-9-10(15)3-4-12(11)14/h3-4,9H,2,5-8H2,1H3/p+1