ethyl 5-(4-fluorophenyl)-3-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H22FN2O3S+ MolecularWeight: 377.452983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C19H21FN2O3S/c1-2-25-19(24)18-15(21-17(23)12-22-9-3-4-10-22)11-16(26-18)13-5-7-14(20)8-6-13/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,23)/p+1