N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-pyridin-2-yl-methanamine dihydrochloride

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-pyridin-2-yl-methanamine dihydrochloride Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-1-(2-pyridyl)methanamine dihydrochloride CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-(2-pyridinyl)methanamine dihydrochloride IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-pyridin-2-ylmethanamine dihydrochloride Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(2-pyridylmethyl)amine dihydrochloride Formula: C20H22BrCl2N3O2 MolecularWeight: 487.21758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC=CC=N2)Br)OCC3=CN=CC=C3.Cl.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC=CC=N2)Br)OCC3=CN=CC=C3.Cl.Cl

InChI

InChI=1S/C20H20BrN3O2.2ClH/c1-25-19-10-16(12-23-13-17-6-2-3-8-24-17)9-18(21)20(19)26-14-15-5-4-7-22-11-15;;/h2-11,23H,12-14H2,1H3;2*1H