[1-(diphenylmethyl)azetidin-1-ium-3-yl] N-[4-(trifluoromethyloxy)phenyl]carbamate

Systemtic Name: [1-(diphenylmethyl)azetidin-1-ium-3-yl] N-[4-(trifluoromethyloxy)phenyl]carbamate Openeye Name: (1-benzhydrylazetidin-1-ium-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [1-(diphenylmethyl)-3-azetidin-1-iumyl] ester IUPAC Name: (1-benzhydrylazetidin-1-ium-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate Traditional Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid (1-benzhydrylazetidin-1-ium-3-yl) ester Formula: C24H22F3N2O3+ MolecularWeight: 443.43829

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1C(C[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C24H21F3N2O3/c25-24(26,27)32-20-13-11-19(12-14-20)28-23(30)31-21-15-29(16-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21-22H,15-16H2,(H,28,30)/p+1