[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)ethanoate

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)ethanoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)acetate CAS Name: 2-(4-but-3-enylphenoxy)acetic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxidoimidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)acetate Traditional Name: 2-(4-but-3-enylphenoxy)acetic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)COC4=CC=C(C=C4)CCC=C

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)COC4=CC=C(C=C4)CCC=C

InChI

InChI=1S/C26H36N4O4S/c1-3-5-7-8-16-29-17-23(30(32,19-29)26-28-27-25(35-26)21-12-13-21)34-24(31)18-33-22-14-10-20(11-15-22)9-6-4-2/h4,10-11,14-15,21,23H,2-3,5-9,12-13,16-19H2,1H3