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

Systemtic Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-benzyl-6-(3-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-benzyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-benzyl-6-(3-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C26H27N5O2/c32-26-18-30(17-25-28-23-10-4-5-11-24(23)29-25)15-22(33-19-21-9-6-12-27-13-21)16-31(26)14-20-7-2-1-3-8-20/h1-13,22H,14-19H2,(H,28,29)/p+1/t22-/m0/s1