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

Systemtic Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(1H-benzimidazol-2-ylmethyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C27H30N5O2+ MolecularWeight: 456.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CC2=NC3=CC=CC=C3N2)CCC4=CC=CC=C4)OCC5=CC=NC=C5

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=NC3=CC=CC=C3N2)CCC4=CC=CC=C4)OCC5=CC=NC=C5

InChI

InChI=1S/C27H29N5O2/c33-27-19-31(18-26-29-24-8-4-5-9-25(24)30-26)16-23(34-20-22-10-13-28-14-11-22)17-32(27)15-12-21-6-2-1-3-7-21/h1-11,13-14,23H,12,15-20H2,(H,29,30)/p+1/t23-/m0/s1