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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H25FN4O/c1-15-16(2)26(13-17-6-8-18(22)9-7-17)21(19(15)12-23)24-20(27)14-25-10-4-3-5-11-25/h6-9H,3-5,10-11,13-14H2,1-2H3,(H,24,27)/p+1