6-bromanyl-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 6-bromanyl-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 6-bromo-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 6-bromo-1-[[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 6-bromo-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 6-bromo-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-2-naphthol Formula: C17H18BrF3NO+ MolecularWeight: 389.23013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC3=C2C=CC(=C3)Br)O)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC3=C2C=CC(=C3)Br)O)C(F)(F)F

InChI

InChI=1S/C17H17BrF3NO/c18-13-4-5-14-11(8-13)3-6-16(23)15(14)10-22-7-1-2-12(9-22)17(19,20)21/h3-6,8,12,23H,1-2,7,9-10H2/p+1/t12-/m0/s1