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

Systemtic Name: (6R)-1-(phenylmethyl)-4-(1H-pyrazol-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-(phenylmethyl)-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-(1H-pyrazol-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CC2=CNN=C2)CC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=CNN=C2)CC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C22H25N5O2/c28-22-16-26(12-19-10-24-25-11-19)14-21(29-17-20-8-4-5-9-23-20)15-27(22)13-18-6-2-1-3-7-18/h1-11,21H,12-17H2,(H,24,25)/p+1/t21-/m0/s1