2-[(2,5-dimethylpyrazol-3-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,5-dimethylpyrazol-3-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2,5-dimethylpyrazole-3-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C17H21FN5OS+ MolecularWeight: 362.444943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F)C

InChI

InChI=1S/C17H20FN5OS/c1-11-10-13(22(4)20-11)16(24)23(9-8-21(2)3)17-19-15-12(18)6-5-7-14(15)25-17/h5-7,10H,8-9H2,1-4H3/p+1