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

Systemtic Name: N-[(2-methoxy-5-pyrimidin-2-yl-phenyl)methyl]-2-phenyl-piperidin-3-amine hydrate dihydrochloride Openeye Name: N-[(2-methoxy-5-pyrimidin-2-yl-phenyl)methyl]-2-phenyl-piperidin-3-amine hydrate dihydrochloride CAS Name: N-[[2-methoxy-5-(2-pyrimidinyl)phenyl]methyl]-2-phenyl-3-piperidinamine hydrate dihydrochloride IUPAC Name: N-[(2-methoxy-5-pyrimidin-2-ylphenyl)methyl]-2-phenylpiperidin-3-amine hydrate dihydrochloride Traditional Name: [2-methoxy-5-(2-pyrimidyl)benzyl]-(2-phenyl-3-piperidyl)amine hydrate dihydrochloride Formula: C23H30Cl2N4O2 MolecularWeight: 465.4159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC=CC=N2)CNC3CCCNC3C4=CC=CC=C4.O.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC=CC=N2)CNC3CCCNC3C4=CC=CC=C4.O.Cl.Cl

InChI

InChI=1S/C23H26N4O.2ClH.H2O/c1-28-21-11-10-18(23-25-13-6-14-26-23)15-19(21)16-27-20-9-5-12-24-22(20)17-7-3-2-4-8-17;;;/h2-4,6-8,10-11,13-15,20,22,24,27H,5,9,12,16H2,1H3;2*1H;1H2