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

Systemtic Name: 2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-phenyl-acetamide Formula: C20H23FN3O2+ MolecularWeight: 356.413923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22FN3O2/c21-17-9-7-16(8-10-17)20(26)24-12-4-11-23(13-14-24)15-19(25)22-18-5-2-1-3-6-18/h1-3,5-10H,4,11-15H2,(H,22,25)/p+1