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

Systemtic Name: 2-phenyl-N-[[5-(pyridin-4-ylmethyl)-1-benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride Openeye Name: 2-phenyl-N-[[5-(4-pyridylmethyl)benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride CAS Name: 2-phenyl-N-[[5-(pyridin-4-ylmethyl)-7-benzofuranyl]methyl]-3-piperidinamine trihydrochloride IUPAC Name: 2-phenyl-N-[[5-(pyridin-4-ylmethyl)-1-benzofuran-7-yl]methyl]piperidin-3-amine trihydrochloride Traditional Name: (2-phenyl-3-piperidyl)-[[5-(4-pyridylmethyl)benzofuran-7-yl]methyl]amine trihydrochloride Formula: C26H30Cl3N3O MolecularWeight: 506.8949

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)CC5=CC=NC=C5)C=CO4.Cl.Cl.Cl

Isomeric SMILES

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)CC5=CC=NC=C5)C=CO4.Cl.Cl.Cl

InChI

InChI=1S/C26H27N3O.3ClH/c1-2-5-21(6-3-1)25-24(7-4-11-28-25)29-18-23-17-20(15-19-8-12-27-13-9-19)16-22-10-14-30-26(22)23;;;/h1-3,5-6,8-10,12-14,16-17,24-25,28-29H,4,7,11,15,18H2;3*1H