N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-phenoxy-ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-phenoxy-acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-2-phenoxyacetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-phenoxyacetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-2-phenoxy-acetamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)COC2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)COC2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN2O2/c23-20-13-7-6-12-19(20)21(25-14-8-1-2-9-15-25)16-24-22(26)17-27-18-10-4-3-5-11-18/h3-7,10-13,21H,1-2,8-9,14-17H2,(H,24,26)/p+1/t21-/m0/s1