(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(3S)-2-oxotetrahydrofuran-3-yl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(3S)-2-oxo-3-oxolanyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(3S)-2-oxooxolan-3-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(3S)-2-ketotetrahydrofuran-3-yl]ammonium Formula: C12H15BrNO4+ MolecularWeight: 317.1558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCOC2=O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+][C@H]2CCOC2=O)Br)O

InChI

InChI=1S/C12H14BrNO4/c1-17-10-5-7(4-8(13)11(10)15)6-14-9-2-3-18-12(9)16/h4-5,9,14-15H,2-3,6H2,1H3/p+1/t9-/m0/s1