2-(2-bromoethyl)-N-cyclopropyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-amine

Systemtic Name: 2-(2-bromoethyl)-N-cyclopropyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-amine Openeye Name: 2-(2-bromoethyl)-N-cyclopropyl-3-oxido-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-amine CAS Name: 2-(2-bromoethyl)-N-cyclopropyl-3-oxido-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4-imidazolidin-3-iumamine IUPAC Name: 2-(2-bromoethyl)-N-cyclopropyl-3-oxido-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-amine Traditional Name: [2-(2-bromoethyl)-3-oxido-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-yl]-cyclopropyl-amine Formula: C16H18BrF3N4OS MolecularWeight: 451.30453

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2CNC([N+]2(C3=NC4=C(S3)C=CC(=C4)C(F)(F)F)[O-])CCBr

Isomeric SMILES

C1CC1NC2CNC([N+]2(C3=NC4=C(S3)C=CC(=C4)C(F)(F)F)[O-])CCBr

InChI

InChI=1S/C16H18BrF3N4OS/c17-6-5-13-21-8-14(22-10-2-3-10)24(13,25)15-23-11-7-9(16(18,19)20)1-4-12(11)26-15/h1,4,7,10,13-14,21-22H,2-3,5-6,8H2