3-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-oxidanylidene-azetidin-2-yl]phenoxy]propyl-trimethyl-azanium bromide

Systemtic Name: 3-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-oxidanylidene-azetidin-2-yl]phenoxy]propyl-trimethyl-azanium bromide Openeye Name: 3-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxy-propyl]-4-oxo-azetidin-2-yl]phenoxy]propyl-trimethyl-ammonium bromide CAS Name: 3-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-2-azetidinyl]phenoxy]propyl-trimethylammonium bromide IUPAC Name: 3-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]propyl-trimethylazanium bromide Traditional Name: 3-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxy-propyl]-4-keto-azetidin-2-yl]phenoxy]propyl-trimethyl-ammonium bromide Formula: C30H35BrF2N2O3 MolecularWeight: 589.511306

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O.[Br-]

InChI

InChI=1S/C30H35F2N2O3.BrH/c1-34(2,3)19-4-20-37-26-15-7-22(8-16-26)29-27(17-18-28(35)21-5-9-23(31)10-6-21)30(36)33(29)25-13-11-24(32)12-14-25;/h5-16,27-29,35H,4,17-20H2,1-3H3;1H/q+1;/p-1