3,6-bis[(3-fluorophenyl)methoxy]-1-methyl-1-oxidanidyl-azepan-1-ium-4,5-diol

Systemtic Name: 3,6-bis[(3-fluorophenyl)methoxy]-1-methyl-1-oxidanidyl-azepan-1-ium-4,5-diol Openeye Name: 3,6-bis[(3-fluorophenyl)methoxy]-1-methyl-1-oxido-azepan-1-ium-4,5-diol CAS Name: 3,6-bis[(3-fluorophenyl)methoxy]-1-methyl-1-oxidoazepan-1-ium-4,5-diol IUPAC Name: 3,6-bis[(3-fluorophenyl)methoxy]-1-methyl-1-oxidoazepan-1-ium-4,5-diol Traditional Name: 3,6-bis[(3-fluorobenzyl)oxy]-1-methyl-1-oxido-azepan-1-ium-4,5-diol Formula: C21H25F2NO5 MolecularWeight: 409.423706

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C(C(C(C1)OCC2=CC(=CC=C2)F)O)O)OCC3=CC(=CC=C3)F)[O-]

Isomeric SMILES

C[N+]1(CC(C(C(C(C1)OCC2=CC(=CC=C2)F)O)O)OCC3=CC(=CC=C3)F)[O-]

InChI

InChI=1S/C21H25F2NO5/c1-24(27)10-18(28-12-14-4-2-6-16(22)8-14)20(25)21(26)19(11-24)29-13-15-5-3-7-17(23)9-15/h2-9,18-21,25-26H,10-13H2,1H3