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

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)O)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)O)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H25FN4O2/c1-14-15(2)26(12-16-3-5-17(22)6-4-16)21(19(14)11-23)24-20(28)13-25-9-7-18(27)8-10-25/h3-6,18,27H,7-10,12-13H2,1-2H3,(H,24,28)/p+1