N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-fluoranyl-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-fluoro-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-4-fluorobenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-fluorobenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-fluoro-benzamide Formula: C21H25ClFN2O+ MolecularWeight: 375.887403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClFN2O/c22-19-8-4-3-7-18(19)20(25-13-5-1-2-6-14-25)15-24-21(26)16-9-11-17(23)12-10-16/h3-4,7-12,20H,1-2,5-6,13-15H2,(H,24,26)/p+1/t20-/m0/s1