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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(2-propoxyphenoxy)butanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-(2-propoxyphenoxy)butanoate CAS Name: 3-(2-propoxyphenoxy)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-(2-propoxyphenoxy)butanoate Traditional Name: 3-(2-propoxyphenoxy)butyric acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H34N4O5S MolecularWeight: 478.60486

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OC(C)CC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C(C)(C)C)[O-])C

Isomeric SMILES

CCCOC1=CC=CC=C1OC(C)CC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C(C)(C)C)[O-])C

InChI

InChI=1S/C23H34N4O5S/c1-7-12-30-17-10-8-9-11-18(17)31-16(2)13-20(28)32-19-14-26(6)15-27(19,29)22-25-24-21(33-22)23(3,4)5/h8-11,16,19H,7,12-15H2,1-6H3