[3-chloranyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-oxidanyl-2-phenyl-ethyl)azanium chloride

Systemtic Name: [3-chloranyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-oxidanyl-2-phenyl-ethyl)azanium chloride Openeye Name: [3-chloro-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(2-hydroxy-2-phenyl-ethyl)ammonium chloride CAS Name: [3-chloro-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-(2-hydroxy-2-phenylethyl)ammonium chloride IUPAC Name: [3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride Traditional Name: [3-chloro-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(2-hydroxy-2-phenyl-ethyl)ammonium chloride Formula: C22H24Cl2N2O3 MolecularWeight: 435.34356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Cl)OCC3=CN=CC=C3.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Cl)OCC3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C22H23ClN2O3.ClH/c1-27-21-11-17(13-25-14-20(26)18-7-3-2-4-8-18)10-19(23)22(21)28-15-16-6-5-9-24-12-16;/h2-12,20,25-26H,13-15H2,1H3;1H