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

Systemtic Name: (2-bromanyl-5-fluoranyl-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-bromo-5-fluoro-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-bromo-5-fluorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-bromo-5-fluorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-bromo-5-fluoro-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C12H15BrFN2O+ MolecularWeight: 302.162703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=C(C=CC(=C2)F)Br

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=C(C=CC(=C2)F)Br

InChI

InChI=1S/C12H14BrFN2O/c13-11-3-2-9(14)8-10(11)12(17)16-6-1-4-15-5-7-16/h2-3,8,15H,1,4-7H2/p+1