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

Systemtic Name: ethyl 4-fluoranyl-3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H24FN2O3S+ MolecularWeight: 415.500963

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O3S/c1-2-28-22(27)21-17(20-18(23)4-3-5-19(20)29-21)14-24-10-12-25(13-11-24)15-6-8-16(26)9-7-15/h3-9,26H,2,10-14H2,1H3/p+1