(6R)-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-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=CC=NN2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=CC=NN2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C23H27N5O2/c29-23-17-27(14-21-8-12-25-26-21)15-22(30-18-20-6-10-24-11-7-20)16-28(23)13-9-19-4-2-1-3-5-19/h1-8,10-12,22H,9,13-18H2,(H,25,26)/p+1/t22-/m0/s1