ethyl 5-(4-fluorophenyl)-3-[2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-[2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-[[1-oxo-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C25H31FN3O4S+ MolecularWeight: 488.594743

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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+]3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C25H30FN3O4S/c1-2-33-25(32)23-20(15-21(34-23)17-5-7-19(26)8-6-17)27-22(30)16-28-13-9-18(10-14-28)24(31)29-11-3-4-12-29/h5-8,15,18H,2-4,9-14,16H2,1H3,(H,27,30)/p+1