2-[4-(5-fluoranyl-2-methoxy-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(5-fluoranyl-2-methoxy-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(5-fluoro-2-methoxy-benzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(5-fluoro-2-methoxy-benzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C17H25FN3O3+ MolecularWeight: 338.397103

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C17H24FN3O3/c1-19(2)16(22)12-20-7-4-8-21(10-9-20)17(23)14-11-13(18)5-6-15(14)24-3/h5-6,11H,4,7-10,12H2,1-3H3/p+1