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

Systemtic Name: (6R)-4-(1H-imidazol-2-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-(1H-imidazol-2-ylmethyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(1H-imidazol-2-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(1H-imidazol-2-ylmethyl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(1H-imidazol-2-ylmethyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CC2=NC=CN2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=NC=CN2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C23H27N5O2/c29-23-17-27(16-22-25-11-12-26-22)14-21(30-18-20-6-9-24-10-7-20)15-28(23)13-8-19-4-2-1-3-5-19/h1-7,9-12,21H,8,13-18H2,(H,25,26)/p+1/t21-/m0/s1