N-[(2-methoxy-5-pyridin-3-yl-phenyl)methyl]-2-phenyl-piperidin-3-amine hydrate trihydrochloride

Systemtic Name: N-[(2-methoxy-5-pyridin-3-yl-phenyl)methyl]-2-phenyl-piperidin-3-amine hydrate trihydrochloride Openeye Name: N-[[2-methoxy-5-(3-pyridyl)phenyl]methyl]-2-phenyl-piperidin-3-amine hydrate trihydrochloride CAS Name: N-[[2-methoxy-5-(3-pyridinyl)phenyl]methyl]-2-phenyl-3-piperidinamine hydrate trihydrochloride IUPAC Name: N-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine hydrate trihydrochloride Traditional Name: [2-methoxy-5-(3-pyridyl)benzyl]-(2-phenyl-3-piperidyl)amine hydrate trihydrochloride Formula: C24H32Cl3N3O2 MolecularWeight: 500.88878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=CC=C2)CNC3CCCNC3C4=CC=CC=C4.O.Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=CC=C2)CNC3CCCNC3C4=CC=CC=C4.O.Cl.Cl.Cl

InChI

InChI=1S/C24H27N3O.3ClH.H2O/c1-28-23-12-11-19(20-9-5-13-25-16-20)15-21(23)17-27-22-10-6-14-26-24(22)18-7-3-2-4-8-18;;;;/h2-5,7-9,11-13,15-16,22,24,26-27H,6,10,14,17H2,1H3;3*1H;1H2