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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NCC([N+]1(C2=NN=C(S2)C(C)(C)C)[O-])OC(=O)CCCC

Isomeric SMILES

CCCCC1NCC([N+]1(C2=NN=C(S2)C(C)(C)C)[O-])OC(=O)CCCC

InChI

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