(6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-(3-fluorobenzyl)oxy-1-phenethyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C24H28FN4O2+ MolecularWeight: 423.503123

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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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O2/c25-21-8-4-7-20(13-21)18-31-23-15-28(14-22-9-11-26-27-22)17-24(30)29(16-23)12-10-19-5-2-1-3-6-19/h1-9,11,13,23H,10,12,14-18H2,(H,26,27)/p+1/t23-/m0/s1