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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-bromo-2-fluoro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-bromo-2-fluorophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-bromo-2-fluorophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-bromo-2-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=C(C=C2)Br)F

Isomeric SMILES

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

InChI

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