[3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(3-butoxyphenoxy)propanoate

Systemtic Name: [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(3-butoxyphenoxy)propanoate Openeye Name: [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(3-butoxyphenoxy)propanoate CAS Name: 2-(3-butoxyphenoxy)propanoic acid [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2-(3-butoxyphenoxy)propanoate Traditional Name: 2-(3-butoxyphenoxy)propionic acid [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C25H38N4O6S2 MolecularWeight: 554.72242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=CC(=C3)OCCCC)C)[O-]

Isomeric SMILES

CCCCCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=CC(=C3)OCCCC)C)[O-]

InChI

InChI=1S/C25H38N4O6S2/c1-5-7-9-10-15-37(32)25-27-26-24(36-25)29(31)18-28(4)17-22(29)35-23(30)19(3)34-21-13-11-12-20(16-21)33-14-8-6-2/h11-13,16,19,22H,5-10,14-15,17-18H2,1-4H3