8-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]isoquinolin-7-ol

Systemtic Name: 8-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-7-isoquinolinol IUPAC Name: 8-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]isoquinolin-7-ol Formula: C16H18F3N2O+ MolecularWeight: 311.32213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N2O/c17-16(18,19)12-2-1-7-21(9-12)10-14-13-8-20-6-5-11(13)3-4-15(14)22/h3-6,8,12,22H,1-2,7,9-10H2/p+1/t12-/m0/s1