[1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] hexanoate

Systemtic Name: [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] hexanoate Openeye Name: [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] hexanoate CAS Name: hexanoic acid [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] hexanoate Traditional Name: hexanoic acid [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H42N4O3S MolecularWeight: 454.66958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCCCC)CCCCCC)[O-]

Isomeric SMILES

CCCCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCCCC)CCCCCC)[O-]

InChI

InChI=1S/C23H42N4O3S/c1-4-7-10-13-15-20-24-25-23(31-20)27(29)19-26(17-14-11-8-5-2)18-21(27)30-22(28)16-12-9-6-3/h21H,4-19H2,1-3H3