3-(4,6-diethoxy-1,3-benzothiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(4,6-diethoxy-1,3-benzothiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 3-(4,6-diethoxy-1,3-benzothiazol-2-yl)-1-(1,1-diethylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 3-(4,6-diethoxy-1,3-benzothiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 3-(4,6-diethoxy-1,3-benzothiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 3-(4,6-diethoxy-1,3-benzothiazol-2-yl)-1-(1,1-diethylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)N1CC([N+](C1)(C2=NC3=C(C=C(C=C3S2)OCC)OCC)[O-])O

Isomeric SMILES

CCC(CC)(C#C)N1CC([N+](C1)(C2=NC3=C(C=C(C=C3S2)OCC)OCC)[O-])O

InChI

InChI=1S/C21H29N3O4S/c1-6-21(7-2,8-3)23-13-18(25)24(26,14-23)20-22-19-16(28-10-5)11-15(27-9-4)12-17(19)29-20/h1,11-12,18,25H,7-10,13-14H2,2-5H3