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

Systemtic Name: 1-[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C19H23ClFN2O+ MolecularWeight: 349.850123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClFN2O/c1-13-10-16(19(24)12-22-8-4-3-5-9-22)14(2)23(13)15-6-7-18(21)17(20)11-15/h6-7,10-11H,3-5,8-9,12H2,1-2H3/p+1