1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-methyl-1,4-diazepan-1-ium-5-one Formula: C13H17ClFN2O+ MolecularWeight: 271.738283

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H16ClFN2O/c1-16-7-8-17(6-5-13(16)18)9-10-11(14)3-2-4-12(10)15/h2-4H,5-9H2,1H3/p+1