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

Systemtic Name: 3-[ethanoyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[acetyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[acetyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[acetyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[acetyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C14H19FN3OS+ MolecularWeight: 296.383563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN3OS/c1-10(19)18(9-5-8-17(2)3)14-16-13-11(15)6-4-7-12(13)20-14/h4,6-7H,5,8-9H2,1-3H3/p+1