(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(2-hydroxyethyl)azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(2-hydroxyethyl)azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-(2-hydroxyethyl)ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(2-hydroxyethyl)ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(2-hydroxyethyl)azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-(2-hydroxyethyl)ammonium Formula: C17H21BrNO3+ MolecularWeight: 367.25754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]CCO)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]CCO)OCC2=CC=CC=C2

InChI

InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)9-14(11-19-7-8-20)17(16)22-12-13-5-3-2-4-6-13/h2-6,9-10,19-20H,7-8,11-12H2,1H3/p+1