[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)azanium chloride

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)azanium chloride Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(2-hydroxyethyl)ammonium chloride CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-(2-hydroxyethyl)ammonium chloride IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)azanium chloride Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(2-hydroxyethyl)ammonium chloride Formula: C16H20BrClN2O3 MolecularWeight: 403.6986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC2=CN=CC=C2.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC2=CN=CC=C2.[Cl-]

InChI

InChI=1S/C16H19BrN2O3.ClH/c1-21-15-8-13(10-19-5-6-20)7-14(17)16(15)22-11-12-3-2-4-18-9-12;/h2-4,7-9,19-20H,5-6,10-11H2,1H3;1H