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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] octanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxido-imidazolidin-3-ium-4-yl] octanoate CAS Name: octanoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxidoimidazolidin-3-ium-4-yl] octanoate Traditional Name: caprylic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H32N4O3S MolecularWeight: 384.53668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CNC([N+]1(C2=NN=C(S2)C(C)(C)C)[O-])C

Isomeric SMILES

CCCCCCCC(=O)OC1CNC([N+]1(C2=NN=C(S2)C(C)(C)C)[O-])C

InChI

InChI=1S/C18H32N4O3S/c1-6-7-8-9-10-11-15(23)25-14-12-19-13(2)22(14,24)17-21-20-16(26-17)18(3,4)5/h13-14,19H,6-12H2,1-5H3