(6R)-4-phenethyl-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-phenethyl-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-phenethyl-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-phenethyl-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-phenethyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-phenethyl-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CCC2=CC=CC=C2)CC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CCC2=CC=CC=C2)CC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C26H29N3O2/c30-26-20-28(16-14-22-9-3-1-4-10-22)18-25(31-21-24-13-7-8-15-27-24)19-29(26)17-23-11-5-2-6-12-23/h1-13,15,25H,14,16-21H2/p+1/t25-/m0/s1