N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C20H24FN4O2+ MolecularWeight: 371.428563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)O)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)O)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C20H23FN4O2/c1-13-14(2)25(16-5-3-4-15(21)10-16)20(18(13)11-22)23-19(27)12-24-8-6-17(26)7-9-24/h3-5,10,17,26H,6-9,12H2,1-2H3,(H,23,27)/p+1