N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-4-chloranyl-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-4-chloranyl-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-4-chloro-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-4-chlorobenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-4-chlorobenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-4-chloro-benzamide Formula: C22H28ClN2O+ MolecularWeight: 371.92352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)Cl)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)Cl)[NH+]3CCCCCC3

InChI

InChI=1S/C22H27ClN2O/c1-17-6-8-18(9-7-17)21(25-14-4-2-3-5-15-25)16-24-22(26)19-10-12-20(23)13-11-19/h6-13,21H,2-5,14-16H2,1H3,(H,24,26)/p+1/t21-/m0/s1