1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol Openeye Name: 1-[(3R)-chroman-3-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol CAS Name: 1-[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-4-[3-(trifluoromethyl)phenyl]-4-piperidin-1-iumol IUPAC Name: 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol Traditional Name: 1-[(3R)-chroman-3-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol Formula: C21H23F3NO2+ MolecularWeight: 378.40803

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C3CC4=CC=CC=C4OC3

Isomeric SMILES

C1C[NH+](CCC1(C2=CC(=CC=C2)C(F)(F)F)O)[C@@H]3CC4=CC=CC=C4OC3

InChI

InChI=1S/C21H22F3NO2/c22-21(23,24)17-6-3-5-16(13-17)20(26)8-10-25(11-9-20)18-12-15-4-1-2-7-19(15)27-14-18/h1-7,13,18,26H,8-12,14H2/p+1/t18-/m1/s1