(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl-[2-(4-hydroxyphenyl)ethyl]azanium

Systemtic Name: (2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl-[2-(4-hydroxyphenyl)ethyl]azanium Openeye Name: (2-bromo-5-hydroxy-4-methoxy-phenyl)methyl-[2-(4-hydroxyphenyl)ethyl]ammonium CAS Name: (2-bromo-5-hydroxy-4-methoxyphenyl)methyl-[2-(4-hydroxyphenyl)ethyl]ammonium IUPAC Name: (2-bromo-5-hydroxy-4-methoxyphenyl)methyl-[2-(4-hydroxyphenyl)ethyl]azanium Traditional Name: (2-bromo-5-hydroxy-4-methoxy-benzyl)-[2-(4-hydroxyphenyl)ethyl]ammonium Formula: C16H19BrNO3+ MolecularWeight: 353.23096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C[NH2+]CCC2=CC=C(C=C2)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)C[NH2+]CCC2=CC=C(C=C2)O)O

InChI

InChI=1S/C16H18BrNO3/c1-21-16-9-14(17)12(8-15(16)20)10-18-7-6-11-2-4-13(19)5-3-11/h2-5,8-9,18-20H,6-7,10H2,1H3/p+1