[3-oxidanidyl-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-propylphenoxy)ethanoate

Systemtic Name: [3-oxidanidyl-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-propylphenoxy)ethanoate Openeye Name: [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-propylphenoxy)acetate CAS Name: 2-(2-propylphenoxy)acetic acid [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-propylphenoxy)acetate Traditional Name: 2-(2-propylphenoxy)acetic acid [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCC)[O-])CCC

Isomeric SMILES

CCCC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCC)[O-])CCC

InChI

InChI=1S/C22H32N4O4S/c1-4-9-17-11-7-8-12-18(17)29-15-21(27)30-20-14-25(13-6-3)16-26(20,28)22-24-23-19(31-22)10-5-2/h7-8,11-12,20H,4-6,9-10,13-16H2,1-3H3