N'-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N-methyl-propane-1,3-diamine dihydrochloride

Systemtic Name: N'-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N-methyl-propane-1,3-diamine dihydrochloride Openeye Name: N'-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-N-methyl-propane-1,3-diamine dihydrochloride CAS Name: N'-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-N-methylpropane-1,3-diamine dihydrochloride IUPAC Name: N'-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N-methylpropane-1,3-diamine dihydrochloride Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-[3-(methylamino)propyl]amine dihydrochloride Formula: C18H26BrCl2N3O2 MolecularWeight: 467.22794

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCNCC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC.Cl.Cl

Isomeric SMILES

CNCCCNCC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC.Cl.Cl

InChI

InChI=1S/C18H24BrN3O2.2ClH/c1-20-6-4-8-22-12-15-9-16(19)18(17(10-15)23-2)24-13-14-5-3-7-21-11-14;;/h3,5,7,9-11,20,22H,4,6,8,12-13H2,1-2H3;2*1H