3-(5-chloranyl-1,3-thiazol-2-yl)-1-(4-ethynylheptan-4-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(5-chloranyl-1,3-thiazol-2-yl)-1-(4-ethynylheptan-4-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 3-(5-chlorothiazol-2-yl)-1-(1-ethynyl-1-propyl-butyl)-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 3-(5-chloro-2-thiazolyl)-1-(4-ethynylheptan-4-yl)-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 3-(5-chloro-1,3-thiazol-2-yl)-1-(4-ethynylheptan-4-yl)-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 3-(5-chlorothiazol-2-yl)-1-(1,1-dipropylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C15H22ClN3O2S MolecularWeight: 343.87208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C#C)N1CC([N+](C1)(C2=NC=C(S2)Cl)[O-])O

Isomeric SMILES

CCCC(CCC)(C#C)N1CC([N+](C1)(C2=NC=C(S2)Cl)[O-])O

InChI

InChI=1S/C15H22ClN3O2S/c1-4-7-15(6-3,8-5-2)18-10-13(20)19(21,11-18)14-17-9-12(16)22-14/h3,9,13,20H,4-5,7-8,10-11H2,1-2H3