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

Systemtic Name: ethyl 4-fluoranyl-3-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-1-ium-1-yl]methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-ium-1-yl]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-1-ium-1-yl]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H28FN2O3S+ MolecularWeight: 407.522023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCN(CC3)CC4CCCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCN(CC3)C[C@H]4CCCO4

InChI

InChI=1S/C21H27FN2O3S/c1-2-26-21(25)20-16(19-17(22)6-3-7-18(19)28-20)14-24-10-8-23(9-11-24)13-15-5-4-12-27-15/h3,6-7,15H,2,4-5,8-14H2,1H3/p+1/t15-/m1/s1