[1-but-3-enyl-3-(5-fluoranyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)ethanoate

Systemtic Name: [1-but-3-enyl-3-(5-fluoranyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)ethanoate Openeye Name: [1-but-3-enyl-3-(5-fluorothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)acetate CAS Name: 2-(4-but-3-enylphenoxy)acetic acid [1-but-3-enyl-3-(5-fluoro-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-but-3-enyl-3-(5-fluoro-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)acetate Traditional Name: 2-(4-but-3-enylphenoxy)acetic acid [1-but-3-enyl-3-(5-fluorothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)F)[O-])CCC=C

Isomeric SMILES

C=CCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)F)[O-])CCC=C

InChI

InChI=1S/C22H26FN3O4S/c1-3-5-7-17-8-10-18(11-9-17)29-15-21(27)30-20-14-25(12-6-4-2)16-26(20,28)22-24-13-19(23)31-22/h3-4,8-11,13,20H,1-2,5-7,12,14-16H2