(3-bromanyl-4-oxidanyl-phenyl)methyl-(2-hydroxyethyl)azanium

Systemtic Name: (3-bromanyl-4-oxidanyl-phenyl)methyl-(2-hydroxyethyl)azanium Openeye Name: (3-bromo-4-hydroxy-phenyl)methyl-(2-hydroxyethyl)ammonium CAS Name: (3-bromo-4-hydroxyphenyl)methyl-(2-hydroxyethyl)ammonium IUPAC Name: (3-bromo-4-hydroxyphenyl)methyl-(2-hydroxyethyl)azanium Traditional Name: (3-bromo-4-hydroxy-benzyl)-(2-hydroxyethyl)ammonium Formula: C9H13BrNO2+ MolecularWeight: 247.10902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH2+]CCO)Br)O

Isomeric SMILES

C1=CC(=C(C=C1C[NH2+]CCO)Br)O

InChI

InChI=1S/C9H12BrNO2/c10-8-5-7(1-2-9(8)13)6-11-3-4-12/h1-2,5,11-13H,3-4,6H2/p+1