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

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-pentoxy-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] furan-2-carboxylate Openeye Name: [1-methyl-3-oxido-3-(5-pentoxy-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [1-methyl-3-oxido-3-(5-pentoxy-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-pentoxy-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-(5-amoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CO3)C)[O-]

Isomeric SMILES

CCCCCOC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CO3)C)[O-]

InChI

InChI=1S/C16H22N4O5S/c1-3-4-5-8-24-16-18-17-15(26-16)20(22)11-19(2)10-13(20)25-14(21)12-7-6-9-23-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3