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

Systemtic Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C21H26FN4O+ MolecularWeight: 369.455743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=C(C(=C(N2C3=CC=C(C=C3)F)C)C)C#N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=C(C(=C(N2C3=CC=C(C=C3)F)C)C)C#N

InChI

InChI=1S/C21H25FN4O/c1-14-6-4-5-11-25(14)13-20(27)24-21-19(12-23)15(2)16(3)26(21)18-9-7-17(22)8-10-18/h7-10,14H,4-6,11,13H2,1-3H3,(H,24,27)/p+1/t14-/m0/s1