[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(4-hexylphenoxy)butanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(4-hexylphenoxy)butanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-(4-hexylphenoxy)butanoate CAS Name: 3-(4-hexylphenoxy)butanoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-(4-hexylphenoxy)butanoate Traditional Name: 3-(4-hexylphenoxy)butyric acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C26H40N4O4S MolecularWeight: 504.6852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O4S/c1-7-8-9-10-11-20-12-14-21(15-13-20)33-19(2)16-23(31)34-22-17-29(6)18-30(22,32)25-28-27-24(35-25)26(3,4)5/h12-15,19,22H,7-11,16-18H2,1-6H3