2-[(2,5-dimethylpyrazol-3-yl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(2,5-dimethylpyrazol-3-yl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C19H25FN5OS+ MolecularWeight: 390.498103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC(=NN3C)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC(=NN3C)C

InChI

InChI=1S/C19H24FN5OS/c1-5-24(6-2)9-10-25(18(26)16-11-13(3)22-23(16)4)19-21-15-8-7-14(20)12-17(15)27-19/h7-8,11-12H,5-6,9-10H2,1-4H3/p+1