[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium chloride

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium chloride Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium chloride CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium chloride IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium chloride Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium chloride Formula: C18H24BrClN2O3 MolecularWeight: 431.75176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC.[Cl-]

Isomeric SMILES

CC(C)(CO)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC.[Cl-]

InChI

InChI=1S/C18H23BrN2O3.ClH/c1-18(2,12-22)21-10-14-7-15(19)17(16(8-14)23-3)24-11-13-5-4-6-20-9-13;/h4-9,21-22H,10-12H2,1-3H3;1H