N-[[5-(1-methyl-1,2,3-triazol-4-yl)-1-benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine trihydrochloride

Systemtic Name: N-[[5-(1-methyl-1,2,3-triazol-4-yl)-1-benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine trihydrochloride Openeye Name: N-[[5-(1-methyltriazol-4-yl)benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine trihydrochloride CAS Name: N-[[5-(1-methyl-4-triazolyl)-7-benzofuranyl]methyl]-2-phenyl-3-piperidinamine trihydrochloride IUPAC Name: N-[[5-(1-methyltriazol-4-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine trihydrochloride Traditional Name: [5-(1-methyltriazol-4-yl)benzofuran-7-yl]methyl-(2-phenyl-3-piperidyl)amine trihydrochloride Formula: C23H28Cl3N5O MolecularWeight: 496.86032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=N1)C2=CC(=C3C(=C2)C=CO3)CNC4CCCNC4C5=CC=CC=C5.Cl.Cl.Cl

Isomeric SMILES

CN1C=C(N=N1)C2=CC(=C3C(=C2)C=CO3)CNC4CCCNC4C5=CC=CC=C5.Cl.Cl.Cl

InChI

InChI=1S/C23H25N5O.3ClH/c1-28-15-21(26-27-28)18-12-17-9-11-29-23(17)19(13-18)14-25-20-8-5-10-24-22(20)16-6-3-2-4-7-16;;;/h2-4,6-7,9,11-13,15,20,22,24-25H,5,8,10,14H2,1H3;3*1H