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

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C21H25FN5O2+ MolecularWeight: 398.453903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O2/c1-14-15(2)27(18-6-4-5-17(22)11-18)21(19(14)12-23)24-20(29)13-25-7-9-26(10-8-25)16(3)28/h4-6,11H,7-10,13H2,1-3H3,(H,24,29)/p+1