N-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-2-benzofuran-5-yl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride

Systemtic Name: N-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-2-benzofuran-5-yl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride Openeye Name: N-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-isobenzofuran-5-yl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride CAS Name: N-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-isobenzofuran-5-yl]methyl]-2-phenyl-3-piperidinamine dihydrochloride IUPAC Name: N-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-2-benzofuran-5-yl]methyl]-2-phenylpiperidin-3-amine dihydrochloride Traditional Name: [6-methoxy-3,3-bis(trifluoromethyl)phthalan-5-yl]methyl-(2-phenyl-3-piperidyl)amine dihydrochloride Formula: C23H26Cl2F6N2O2 MolecularWeight: 547.361159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)COC2(C(F)(F)F)C(F)(F)F)CNC3CCCNC3C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)COC2(C(F)(F)F)C(F)(F)F)CNC3CCCNC3C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C23H24F6N2O2.2ClH/c1-32-19-11-16-13-33-21(22(24,25)26,23(27,28)29)17(16)10-15(19)12-31-18-8-5-9-30-20(18)14-6-3-2-4-7-14;;/h2-4,6-7,10-11,18,20,30-31H,5,8-9,12-13H2,1H3;2*1H