(6R)-4-(1H-indol-3-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-(1H-indol-3-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-(1H-indol-3-ylmethyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(1H-indol-3-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(1H-indol-3-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(1H-indol-3-ylmethyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C28H31N4O2+ MolecularWeight: 455.57134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CC2=CNC3=CC=CC=C32)CCC4=CC=CC=C4)OCC5=CC=NC=C5

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=CNC3=CC=CC=C32)CCC4=CC=CC=C4)OCC5=CC=NC=C5

InChI

InChI=1S/C28H30N4O2/c33-28-20-31(17-24-16-30-27-9-5-4-8-26(24)27)18-25(34-21-23-10-13-29-14-11-23)19-32(28)15-12-22-6-2-1-3-7-22/h1-11,13-14,16,25,30H,12,15,17-21H2/p+1/t25-/m0/s1