1-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C20H23ClF3N2O+ MolecularWeight: 399.85763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(F)(F)F)C)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(F)(F)F)C)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H22ClF3N2O/c1-13-10-16(19(27)12-25-8-4-3-5-9-25)14(2)26(13)15-6-7-18(21)17(11-15)20(22,23)24/h6-7,10-11H,3-5,8-9,12H2,1-2H3/p+1