[1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(2-butylphenoxy)ethanoate

Systemtic Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(2-butylphenoxy)ethanoate Openeye Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(2-butylphenoxy)acetate CAS Name: 2-(2-butylphenoxy)acetic acid [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 2-(2-butylphenoxy)acetate Traditional Name: 2-(2-butylphenoxy)acetic acid [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C25H38N4O4S MolecularWeight: 490.65862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCCC)[O-])CCCC

Isomeric SMILES

CCCCC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCCC)[O-])CCCC

InChI

InChI=1S/C25H38N4O4S/c1-4-7-12-20-13-10-11-14-21(20)32-18-24(30)33-23-17-28(16-9-6-3)19-29(23,31)25-27-26-22(34-25)15-8-5-2/h10-11,13-14,23H,4-9,12,15-19H2,1-3H3