(2-chloranyl-6-fluoranyl-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-chloro-6-fluoro-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-chloro-6-fluorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-chloro-6-fluorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-chloro-6-fluoro-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C12H15ClFN2O+ MolecularWeight: 257.711703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C12H14ClFN2O/c13-9-3-1-4-10(14)11(9)12(17)16-7-2-5-15-6-8-16/h1,3-4,15H,2,5-8H2/p+1