6-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

Systemtic Name: 6-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]indan-5-ol CAS Name: 6-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]indan-5-ol Formula: C20H23F3N3O+ MolecularWeight: 378.41133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O/c21-20(22,23)17-4-5-19(24-12-17)26-8-6-25(7-9-26)13-16-10-14-2-1-3-15(14)11-18(16)27/h4-5,10-12,27H,1-3,6-9,13H2/p+1