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

Systemtic Name: 2-phenyl-N-[[5-(2H-1,2,3-triazol-4-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride Openeye Name: 2-phenyl-N-[[5-(2H-triazol-4-yl)benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride CAS Name: 2-phenyl-N-[[5-(2H-triazol-4-yl)-7-benzofuranyl]methyl]-3-piperidinamine trihydrochloride IUPAC Name: 2-phenyl-N-[[5-(2H-triazol-4-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride Traditional Name: (2-phenyl-3-piperidyl)-[[5-(2H-triazol-4-yl)benzofuran-7-yl]methyl]amine trihydrochloride Formula: C22H26Cl3N5O MolecularWeight: 482.83374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)C5=NNN=C5)C=CO4.Cl.Cl.Cl

Isomeric SMILES

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)C5=NNN=C5)C=CO4.Cl.Cl.Cl

InChI

InChI=1S/C22H23N5O.3ClH/c1-2-5-15(6-3-1)21-19(7-4-9-23-21)24-13-18-12-17(20-14-25-27-26-20)11-16-8-10-28-22(16)18;;;/h1-3,5-6,8,10-12,14,19,21,23-24H,4,7,9,13H2,(H,25,26,27);3*1H