N-[[2-methoxy-5-(6-methylpyridin-2-yl)phenyl]methyl]-2-phenyl-piperidin-3-amine hydrate dihydrochloride

Systemtic Name: N-[[2-methoxy-5-(6-methylpyridin-2-yl)phenyl]methyl]-2-phenyl-piperidin-3-amine hydrate dihydrochloride Openeye Name: N-[[2-methoxy-5-(6-methyl-2-pyridyl)phenyl]methyl]-2-phenyl-piperidin-3-amine hydrate dihydrochloride CAS Name: N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenyl-3-piperidinamine hydrate dihydrochloride IUPAC Name: N-[[2-methoxy-5-(6-methylpyridin-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine hydrate dihydrochloride Traditional Name: [2-methoxy-5-(6-methyl-2-pyridyl)benzyl]-(2-phenyl-3-piperidyl)amine hydrate dihydrochloride Formula: C25H33Cl2N3O2 MolecularWeight: 478.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=CC(=C(C=C2)OC)CNC3CCCNC3C4=CC=CC=C4.O.Cl.Cl

Isomeric SMILES

CC1=CC=CC(=N1)C2=CC(=C(C=C2)OC)CNC3CCCNC3C4=CC=CC=C4.O.Cl.Cl

InChI

InChI=1S/C25H29N3O.2ClH.H2O/c1-18-8-6-11-22(28-18)20-13-14-24(29-2)21(16-20)17-27-23-12-7-15-26-25(23)19-9-4-3-5-10-19;;;/h3-6,8-11,13-14,16,23,25-27H,7,12,15,17H2,1-2H3;2*1H;1H2