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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

InChI

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