N-[(1R)-1,2-diphenylethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C26H31N4O+ MolecularWeight: 415.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N[C@H](CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C26H30N4O/c31-26(21-30-17-15-29(16-18-30)20-24-13-7-8-14-27-24)28-25(23-11-5-2-6-12-23)19-22-9-3-1-4-10-22/h1-14,25H,15-21H2,(H,28,31)/p+1/t25-/m1/s1