[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] 2-(4-pent-4-enylphenoxy)ethanoate

Systemtic Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] 2-(4-pent-4-enylphenoxy)ethanoate Openeye Name: [1-allyl-3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-pent-4-enylphenoxy)acetate CAS Name: 2-(4-pent-4-enylphenoxy)acetic acid [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] 2-(4-pent-4-enylphenoxy)acetate Traditional Name: 2-(4-pent-4-enylphenoxy)acetic acid [1-allyl-3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C25H32N4O4S MolecularWeight: 484.61098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CCC4)[O-])CC=C

Isomeric SMILES

C=CCCCC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CCC4)[O-])CC=C

InChI

InChI=1S/C25H32N4O4S/c1-3-5-6-8-19-11-13-21(14-12-19)32-17-23(30)33-22-16-28(15-4-2)18-29(22,31)25-27-26-24(34-25)20-9-7-10-20/h3-4,11-14,20,22H,1-2,5-10,15-18H2