4-[(2S)-2-oxidanyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-oxidanyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-[(3R)-3-(trifluoromethyl)-1-piperidin-1-iumyl]propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propoxy]benzonitrile Formula: C16H20F3N2O2+ MolecularWeight: 329.33741

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(COC2=CC=C(C=C2)C#N)O)C(F)(F)F

Isomeric SMILES

C1C[C@H](C[NH+](C1)C[C@@H](COC2=CC=C(C=C2)C#N)O)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O2/c17-16(18,19)13-2-1-7-21(9-13)10-14(22)11-23-15-5-3-12(8-20)4-6-15/h3-6,13-14,22H,1-2,7,9-11H2/p+1/t13-,14+/m1/s1