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

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C20H24FN4O+ MolecularWeight: 355.429163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H23FN4O/c1-14-15(2)25(12-16-5-7-17(21)8-6-16)20(18(14)11-22)23-19(26)13-24-9-3-4-10-24/h5-8H,3-4,9-10,12-13H2,1-2H3,(H,23,26)/p+1