[3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)propanoate

Systemtic Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)propanoate Openeye Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)propanoate CAS Name: 2-(4-but-3-enylphenoxy)propanoic acid [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2-(4-but-3-enylphenoxy)propanoate Traditional Name: 2-(4-but-3-enylphenoxy)propionic acid [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C25H36N4O4S2 MolecularWeight: 520.70774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=C(C=C3)CCC=C)C)[O-]

Isomeric SMILES

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=C(C=C3)CCC=C)C)[O-]

InChI

InChI=1S/C25H36N4O4S2/c1-5-7-9-10-16-34-25-27-26-24(35-25)29(31)18-28(4)17-22(29)33-23(30)19(3)32-21-14-12-20(13-15-21)11-8-6-2/h6,12-15,19,22H,2,5,7-11,16-18H2,1,3-4H3