3-(5-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(5-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 1-(1,1-dimethylprop-2-ynyl)-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 3-(5-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 3-(5-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 1-(1,1-dimethylprop-2-ynyl)-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3O)C(C)(C)C#C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3O)C(C)(C)C#C)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-5-16(3,4)18-9-14(20)19(21,10-18)15-17-12-8-11(2)6-7-13(12)22-15/h1,6-8,14,20H,9-10H2,2-4H3