[(2S)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: [(2S)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]azanium Openeye Name: [(2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-hydroxy-ethyl]ammonium CAS Name: [(2S)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-hydroxyethyl]ammonium IUPAC Name: [(2S)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-hydroxyethyl]azanium Traditional Name: [(2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-hydroxy-ethyl]ammonium Formula: C9H13BrNO3+ MolecularWeight: 263.10842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12BrNO3/c1-14-8-3-5(7(12)4-11)2-6(10)9(8)13/h2-3,7,12-13H,4,11H2,1H3/p+1/t7-/m1/s1