3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethyl-propan-1-amine oxide hydrochloride

Systemtic Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethyl-propan-1-amine oxide hydrochloride Openeye Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]-N,N-dimethyl-propan-1-amine oxide hydrochloride CAS Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]-N,N-dimethyl-1-propanamine oxide hydrochloride IUPAC Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide hydrochloride Traditional Name: 3-[5-cyano-1-(4-fluorophenyl)phthalan-1-yl]-N,N-dimethyl-propan-1-amine oxide hydrochloride Formula: C20H22ClFN2O2 MolecularWeight: 376.852283

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-].Cl

Isomeric SMILES

C[N+](C)(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-].Cl

InChI

InChI=1S/C20H21FN2O2.ClH/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H