2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethylazanium

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethylazanium Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)ethylammonium CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethylammonium IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethylazanium Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)ethylammonium Formula: C9H13BrNO2+ MolecularWeight: 247.10902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC[NH3+])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CC[NH3+])Br)O

InChI

InChI=1S/C9H12BrNO2/c1-13-8-5-6(2-3-11)4-7(10)9(8)12/h4-5,12H,2-3,11H2,1H3/p+1