2-(2-bromoethyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 2-(2-bromoethyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 2-(2-bromoethyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 2-(2-bromoethyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 2-(2-bromoethyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 2-(2-bromoethyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)[N+]3(C(CNC3CCBr)O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)[N+]3(C(CNC3CCBr)O)[O-]

InChI

InChI=1S/C14H18BrN3O3S/c1-2-21-9-3-4-10-11(7-9)22-14(17-10)18(20)12(5-6-15)16-8-13(18)19/h3-4,7,12-13,16,19H,2,5-6,8H2,1H3