(3-chloranyl-4-fluoranyl-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-2-ium-2-yl) propanoate chloride

Systemtic Name: (3-chloranyl-4-fluoranyl-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-2-ium-2-yl) propanoate chloride Openeye Name: (3-chloro-4-fluoro-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-2-ium-2-yl) propanoate chloride CAS Name: propanoic acid (3-chloro-4-fluoro-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-2-ium-2-yl) ester chloride IUPAC Name: (3-chloro-4-fluoro-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-2-ium-2-yl) propanoate chloride Traditional Name: propionic acid (3-chloro-4-fluoro-5-phenyl-4,5,6,7-tetrahydro-2H-indazol-2-ium-2-yl) ester chloride Formula: C16H17Cl2FN2O2 MolecularWeight: 359.222783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O[NH+]1C(=C2C(C(CCC2=N1)C3=CC=CC=C3)F)Cl.[Cl-]

Isomeric SMILES

CCC(=O)O[NH+]1C(=C2C(C(CCC2=N1)C3=CC=CC=C3)F)Cl.[Cl-]

InChI

InChI=1S/C16H16ClFN2O2.ClH/c1-2-13(21)22-20-16(17)14-12(19-20)9-8-11(15(14)18)10-6-4-3-5-7-10;/h3-7,11,15H,2,8-9H2,1H3;1H