ethyl 2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H22FN2O3S+ MolecularWeight: 413.485083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C[N+]3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C[N+]3=CC=CC(=C3C)C

InChI

InChI=1S/C22H21FN2O3S/c1-4-28-22(27)20-18(16-7-9-17(23)10-8-16)13-29-21(20)24-19(26)12-25-11-5-6-14(2)15(25)3/h5-11,13H,4,12H2,1-3H3/p+1