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

Systemtic Name: methyl 4-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H20FN2O4S+ MolecularWeight: 379.425803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O4S/c1-24-18(23)16-14(12-2-4-13(19)5-3-12)11-26-17(16)20-15(22)10-21-6-8-25-9-7-21/h2-5,11H,6-10H2,1H3,(H,20,22)/p+1