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

Systemtic Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-methylfuran-2-carboxylate Openeye Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-methylfuran-2-carboxylate CAS Name: 4-methyl-2-furancarboxylic 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] 4-methylfuran-2-carboxylate Traditional Name: 4-methylfuran-2-carboxylic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CCCCC4)[O-])C

Isomeric SMILES

CC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CCCCC4)[O-])C

InChI

InChI=1S/C18H24N4O4S/c1-12-8-14(25-10-12)17(23)26-15-9-21(2)11-22(15,24)18-20-19-16(27-18)13-6-4-3-5-7-13/h8,10,13,15H,3-7,9,11H2,1-2H3