1-[1-(diphenylmethyl)azetidin-3-yl]-4-fluoranyl-piperidine; 4-methylbenzenesulfonate

Systemtic Name: 1-[1-(diphenylmethyl)azetidin-3-yl]-4-fluoranyl-piperidine; 4-methylbenzenesulfonate Openeye Name: 1-(1-benzhydrylazetidin-3-yl)-4-fluoro-piperidine; 4-methylbenzenesulfonate CAS Name: 1-[1-(diphenylmethyl)-3-azetidinyl]-4-fluoropiperidine; 4-methylbenzenesulfonate IUPAC Name: 1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine; 4-methylbenzenesulfonate Traditional Name: 1-(1-benzhydrylazetidin-3-yl)-4-fluoro-piperidine tosylate Formula: C28H32FN2O3S- MolecularWeight: 495.628683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CN(CCC1F)C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CN(CCC1F)C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H25FN2.C7H8O3S/c22-19-11-13-23(14-12-19)20-15-24(16-20)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,19-21H,11-16H2;2-5H,1H3,(H,8,9,10)/p-1