1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone Formula: C14H20F3N2O+ MolecularWeight: 289.31661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCCC(C2)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCC[C@@H](C2)C(F)(F)F

InChI

InChI=1S/C14H19F3N2O/c1-9-6-12(10(2)18-9)13(20)8-19-5-3-4-11(7-19)14(15,16)17/h6,11,18H,3-5,7-8H2,1-2H3/p+1/t11-/m0/s1