(10bS)-2-[4-[bis(fluoranyl)methoxy]phenyl]-1'-methyl-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium]

Systemtic Name: (10bS)-2-[4-[bis(fluoranyl)methoxy]phenyl]-1'-methyl-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] Openeye Name: (10bS)-2-[4-(difluoromethoxy)phenyl]-1'-methyl-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] CAS Name: (10bS)-2-[4-(difluoromethoxy)phenyl]-1'-methylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] IUPAC Name: (10bS)-2-[4-(difluoromethoxy)phenyl]-1'-methylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] Traditional Name: (10bS)-2-[4-(difluoromethoxy)phenyl]-1'-methyl-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium] Formula: C22H24F2N3O2+ MolecularWeight: 400.441666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2(CC1)N3C(C=C(N3)C4=CC=C(C=C4)OC(F)F)C5=CC=CC=C5O2

Isomeric SMILES

C[NH+]1CCC2(CC1)N3[C@@H](C=C(N3)C4=CC=C(C=C4)OC(F)F)C5=CC=CC=C5O2

InChI

InChI=1S/C22H23F2N3O2/c1-26-12-10-22(11-13-26)27-19(17-4-2-3-5-20(17)29-22)14-18(25-27)15-6-8-16(9-7-15)28-21(23)24/h2-9,14,19,21,25H,10-13H2,1H3/p+1/t19-/m0/s1