2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-[(2-methyl-3-pyrazolyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C16H19FN5OS+ MolecularWeight: 348.418363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C16H18FN5OS/c1-20(2)9-10-22(15(23)12-7-8-18-21(12)3)16-19-14-11(17)5-4-6-13(14)24-16/h4-8H,9-10H2,1-3H3/p+1