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

Systemtic Name: [3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-pentyl-imidazolidin-3-ium-4-yl] 2-(4-hexylphenoxy)ethanoate Openeye Name: [3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pentyl-imidazolidin-3-ium-4-yl] 2-(4-hexylphenoxy)acetate CAS Name: 2-(4-hexylphenoxy)acetic acid [3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pentyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pentylimidazolidin-3-ium-4-yl] 2-(4-hexylphenoxy)acetate Traditional Name: 2-(4-hexylphenoxy)acetic acid [1-amyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C30H48N4O4S MolecularWeight: 560.79152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCCCCC)[O-])CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCCCCC)[O-])CCCCC

InChI

InChI=1S/C30H48N4O4S/c1-4-7-10-12-15-25-17-19-26(20-18-25)37-23-29(35)38-28-22-33(21-14-9-6-3)24-34(28,36)30-32-31-27(39-30)16-13-11-8-5-2/h17-20,28H,4-16,21-24H2,1-3H3