3-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C12H16F2N3S+ MolecularWeight: 272.337346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC2=C(C=C(C=C2S1)F)F

Isomeric SMILES

C[NH+](C)CCCNC1=NC2=C(C=C(C=C2S1)F)F

InChI

InChI=1S/C12H15F2N3S/c1-17(2)5-3-4-15-12-16-11-9(14)6-8(13)7-10(11)18-12/h6-7H,3-5H2,1-2H3,(H,15,16)/p+1