(6R)-4-(furan-3-ylmethyl)-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-(furan-3-ylmethyl)-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-(3-furylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(3-furanylmethyl)-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-(furan-3-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-(3-furfuryl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c27-23-16-25(12-20-9-11-28-17-20)14-22(29-18-21-8-4-5-10-24-21)15-26(23)13-19-6-2-1-3-7-19/h1-11,17,22H,12-16,18H2/p+1/t22-/m0/s1