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

Systemtic Name: ethyl 4-fluoranyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C17H22FN2O2S+ MolecularWeight: 337.432183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3CC[NH+](CC3)C

InChI

InChI=1S/C17H21FN2O2S/c1-3-22-17(21)16-12(11-20-9-7-19(2)8-10-20)15-13(18)5-4-6-14(15)23-16/h4-6H,3,7-11H2,1-2H3/p+1