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

Systemtic Name: [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxidanidyl-imidazolidin-1-ium-2-yl] nonanoate Openeye Name: [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] nonanoate CAS Name: nonanoic acid [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxidoimidazolidin-1-ium-2-yl] nonanoate Traditional Name: pelargonic acid [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C19H34N4O3S MolecularWeight: 398.56326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1N(CC[N+]1(C2=NN=C(S2)C(C)(C)C)[O-])C

Isomeric SMILES

CCCCCCCCC(=O)OC1N(CC[N+]1(C2=NN=C(S2)C(C)(C)C)[O-])C

InChI

InChI=1S/C19H34N4O3S/c1-6-7-8-9-10-11-12-15(24)26-18-22(5)13-14-23(18,25)17-21-20-16(27-17)19(2,3)4/h18H,6-14H2,1-5H3