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

Systemtic Name: ethyl 3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(4-acetyl-1-piperazin-1-iumyl)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H22FN2O3S+ MolecularWeight: 365.442283

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O3S/c1-3-24-18(23)17-13(16-14(19)5-4-6-15(16)25-17)11-20-7-9-21(10-8-20)12(2)22/h4-6H,3,7-11H2,1-2H3/p+1