4-chloranyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalen-1-ol

Systemtic Name: 4-chloranyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalen-1-ol Openeye Name: 4-chloro-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalen-1-ol CAS Name: 4-chloro-2-[[(3R)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-1-naphthalenol IUPAC Name: 4-chloro-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalen-1-ol Traditional Name: 4-chloro-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1-naphthol Formula: C17H18ClF3NO+ MolecularWeight: 344.77913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C3=CC=CC=C3C(=C2)Cl)O)C(F)(F)F

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=C(C3=CC=CC=C3C(=C2)Cl)O)C(F)(F)F

InChI

InChI=1S/C17H17ClF3NO/c18-15-8-11(16(23)14-6-2-1-5-13(14)15)9-22-7-3-4-12(10-22)17(19,20)21/h1-2,5-6,8,12,23H,3-4,7,9-10H2/p+1/t12-/m1/s1