(6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(2-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-(3-fluorobenzyl)oxy-1-phenethyl-4-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C26H29FN3O2+ MolecularWeight: 434.525763

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CC2=CC=CC=N2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=CC=CC=N2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C26H28FN3O2/c27-23-10-6-9-22(15-23)20-32-25-17-29(16-24-11-4-5-13-28-24)19-26(31)30(18-25)14-12-21-7-2-1-3-8-21/h1-11,13,15,25H,12,14,16-20H2/p+1/t25-/m0/s1