3-(6-bromanyl-5-ethyl-1,3-benzothiazol-2-yl)-1-(chloromethyl)-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(6-bromanyl-5-ethyl-1,3-benzothiazol-2-yl)-1-(chloromethyl)-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 3-(6-bromo-5-ethyl-1,3-benzothiazol-2-yl)-1-(chloromethyl)-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 3-(6-bromo-5-ethyl-1,3-benzothiazol-2-yl)-1-(chloromethyl)-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 3-(6-bromo-5-ethyl-1,3-benzothiazol-2-yl)-1-(chloromethyl)-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 3-(6-bromo-5-ethyl-1,3-benzothiazol-2-yl)-1-(chloromethyl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C13H15BrClN3O2S MolecularWeight: 392.6991

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1Br)SC(=N2)[N+]3(CN(CC3O)CCl)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1Br)SC(=N2)[N+]3(CN(CC3O)CCl)[O-]

InChI

InChI=1S/C13H15BrClN3O2S/c1-2-8-3-10-11(4-9(8)14)21-13(16-10)18(20)7-17(6-15)5-12(18)19/h3-4,12,19H,2,5-7H2,1H3