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

Systemtic Name: ethyl 3-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C24H26FN2O3S+ MolecularWeight: 441.538243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O3S/c1-3-30-24(29)23-19(22-20(25)5-4-6-21(22)31-23)15-26-11-13-27(14-12-26)18-9-7-17(8-10-18)16(2)28/h4-10H,3,11-15H2,1-2H3/p+1