4-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-(3,3-diphenylpropyl)-1-oxidanidyl-piperidin-1-ium-4-ol

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-(3,3-diphenylpropyl)-1-oxidanidyl-piperidin-1-ium-4-ol Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(3,3-diphenylpropyl)-1-oxido-piperidin-1-ium-4-ol CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(3,3-diphenylpropyl)-1-oxido-4-piperidin-1-iumol IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(3,3-diphenylpropyl)-1-oxidopiperidin-1-ium-4-ol Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(3,3-diphenylpropyl)-1-oxido-piperidin-1-ium-4-ol Formula: C27H27ClF3NO2 MolecularWeight: 489.95699

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)(CCC(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1C[N+](CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)(CCC(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H27ClF3NO2/c28-25-12-11-22(19-24(25)27(29,30)31)26(33)14-17-32(34,18-15-26)16-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,23,33H,13-18H2