ethyl 4-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H22FN2O4S+ MolecularWeight: 393.452383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C19H21FN2O4S/c1-2-26-19(24)17-15(13-3-5-14(20)6-4-13)12-27-18(17)21-16(23)11-22-7-9-25-10-8-22/h3-6,12H,2,7-11H2,1H3,(H,21,23)/p+1