N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine dihydrochloride

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine dihydrochloride Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]propan-1-amine dihydrochloride CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-propanamine dihydrochloride IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine dihydrochloride Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-propyl-amine dihydrochloride Formula: C17H23BrCl2N2O2 MolecularWeight: 438.18672

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC.Cl.Cl

Isomeric SMILES

CCCNCC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC.Cl.Cl

InChI

InChI=1S/C17H21BrN2O2.2ClH/c1-3-6-19-11-14-8-15(18)17(16(9-14)21-2)22-12-13-5-4-7-20-10-13;;/h4-5,7-10,19H,3,6,11-12H2,1-2H3;2*1H