2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]-N-phenyl-acetamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)CC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O/c21-18-9-7-17(8-10-18)15-23-11-4-12-24(14-13-23)16-20(25)22-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H,22,25)/p+1