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

Systemtic Name: 1-[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Formula: C20H25ClFN2O+ MolecularWeight: 363.876703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C20H24ClFN2O/c1-13-6-8-23(9-7-13)12-20(25)17-10-14(2)24(15(17)3)16-4-5-19(22)18(21)11-16/h4-5,10-11,13H,6-9,12H2,1-3H3/p+1