[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-cyanophenoxy)ethanoate

Systemtic Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NN=C(S2)C3CCCCC3)[O-])OC(=O)COC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1CC([N+](C1)(C2=NN=C(S2)C3CCCCC3)[O-])OC(=O)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H25N5O4S/c1-25-12-18(30-19(27)13-29-17-9-7-15(11-22)8-10-17)26(28,14-25)21-24-23-20(31-21)16-5-3-2-4-6-16/h7-10,16,18H,2-6,12-14H2,1H3