1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Formula: C20H26FN2O+ MolecularWeight: 329.431643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H25FN2O/c1-14-5-4-10-22(12-14)13-20(24)19-11-15(2)23(16(19)3)18-8-6-17(21)7-9-18/h6-9,11,14H,4-5,10,12-13H2,1-3H3/p+1/t14-/m0/s1