ethyl 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H23FNO3S+ MolecularWeight: 352.443523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C18H22FNO3S/c1-4-22-18(21)17-13(10-20-8-11(2)23-12(3)9-20)16-14(19)6-5-7-15(16)24-17/h5-7,11-12H,4,8-10H2,1-3H3/p+1/t11-,12-/m0/s1