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

Systemtic Name: 3-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-ethanoyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[acetyl-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[acetyl-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[acetyl-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[acetyl-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C14H18F2N3OS+ MolecularWeight: 314.374026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC[NH+](C)C)C1=NC2=C(C=C(C=C2S1)F)F

Isomeric SMILES

CC(=O)N(CCC[NH+](C)C)C1=NC2=C(C=C(C=C2S1)F)F

InChI

InChI=1S/C14H17F2N3OS/c1-9(20)19(6-4-5-18(2)3)14-17-13-11(16)7-10(15)8-12(13)21-14/h7-8H,4-6H2,1-3H3/p+1