2-(azepan-1-ium-1-yl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-benzoyl-4-chloro-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-benzoyl-4-chlorophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-benzoyl-4-chlorophenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-benzoyl-4-chloro-phenyl)acetamide Formula: C21H24ClN2O2+ MolecularWeight: 371.88046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O2/c22-17-10-11-19(18(14-17)21(26)16-8-4-3-5-9-16)23-20(25)15-24-12-6-1-2-7-13-24/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,23,25)/p+1