(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(2-methoxy-2-oxidanylidene-ethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(2-methoxy-2-oxidanylidene-ethyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(2-methoxy-2-oxo-ethyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-methoxy-2-oxoethyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-methoxy-2-oxoethyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(2-keto-2-methoxy-ethyl)ammonium Formula: C11H15BrNO4+ MolecularWeight: 305.1451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO4/c1-16-9-4-7(3-8(12)11(9)15)5-13-6-10(14)17-2/h3-4,13,15H,5-6H2,1-2H3/p+1