ethyl 4-fluoranyl-3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H22FN2O4S+ MolecularWeight: 417.473783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H21FN2O4S/c1-2-27-21(26)19-14(18-15(22)5-3-7-17(18)29-19)13-23-8-10-24(11-9-23)20(25)16-6-4-12-28-16/h3-7,12H,2,8-11,13H2,1H3/p+1