N-(2-azanyl-4-fluoranyl-phenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(2-azanyl-4-fluoranyl-phenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)ethanamide Openeye Name: N-(2-amino-4-fluoro-phenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)acetamide CAS Name: N-(2-amino-4-fluorophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)acetamide IUPAC Name: N-(2-amino-4-fluorophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)acetamide Traditional Name: N-(2-amino-4-fluoro-phenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)acetamide Formula: C14H23FN4O+2 MolecularWeight: 282.357023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)F)N

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)F)N

InChI

InChI=1S/C14H21FN4O/c1-18-5-2-6-19(8-7-18)10-14(20)17-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8,10,16H2,1H3,(H,17,20)/p+2