(6R)-6-phenylmethoxy-4-(1H-pyrazol-4-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-phenylmethoxy-4-(1H-pyrazol-4-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-(1H-pyrazol-4-ylmethyl)-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-phenylmethoxy-4-(1H-pyrazol-4-ylmethyl)-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-phenylmethoxy-4-(1H-pyrazol-4-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-(1H-pyrazol-4-ylmethyl)-1-(3-pyridylmethyl)-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=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=CNN=C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

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