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

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C19H22FN4O2+ MolecularWeight: 357.401983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCOCC2)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCOCC2)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C19H21FN4O2/c1-13-14(2)24(16-5-3-4-15(20)10-16)19(17(13)11-21)22-18(25)12-23-6-8-26-9-7-23/h3-5,10H,6-9,12H2,1-2H3,(H,22,25)/p+1