[1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] butanoate

Systemtic Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] butanoate Openeye Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] butanoate CAS Name: butanoic acid [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] butanoate Traditional Name: butyric acid [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H30N4O3S MolecularWeight: 370.5101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCC)CCCC)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCC)CCCC)[O-]

InChI

InChI=1S/C17H30N4O3S/c1-4-7-10-14-18-19-17(25-14)21(23)13-20(11-8-5-2)12-15(21)24-16(22)9-6-3/h15H,4-13H2,1-3H3