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

Systemtic Name: (4-chloranyl-2-fluoranyl-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-chloro-2-fluoro-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-chloro-2-fluorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-chloro-2-fluorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-chloro-2-fluoro-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C12H15ClFN2O+ MolecularWeight: 257.711703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClFN2O/c13-9-2-3-10(11(14)8-9)12(17)16-6-1-4-15-5-7-16/h2-3,8,15H,1,4-7H2/p+1