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

Systemtic Name: 3-[(2-ethylpyrazol-3-yl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-ethylpyrazole-3-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-ethyl-3-pyrazolyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2-ethylpyrazole-3-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-ethylpyrazole-3-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C18H23FN5OS+ MolecularWeight: 376.471523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CCN1C(=CC=N1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C18H22FN5OS/c1-4-24-15(8-9-20-24)17(25)23(11-5-10-22(2)3)18-21-14-7-6-13(19)12-16(14)26-18/h6-9,12H,4-5,10-11H2,1-3H3/p+1