N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2,2-diphenyl-ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2,2-diphenyl-acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2,2-diphenyl-acetamide Formula: C26H31N2OS+ MolecularWeight: 419.60214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C26H30N2OS/c29-26(25(21-12-5-3-6-13-21)22-14-7-4-8-15-22)27-20-23(24-16-11-19-30-24)28-17-9-1-2-10-18-28/h3-8,11-16,19,23,25H,1-2,9-10,17-18,20H2,(H,27,29)/p+1/t23-/m0/s1