(2-bromanyl-4-methoxy-3-oxidanyl-phenyl)methyl-[2-(4-hydroxyphenyl)ethyl]azanium

Systemtic Name: (2-bromanyl-4-methoxy-3-oxidanyl-phenyl)methyl-[2-(4-hydroxyphenyl)ethyl]azanium Openeye Name: (2-bromo-3-hydroxy-4-methoxy-phenyl)methyl-[2-(4-hydroxyphenyl)ethyl]ammonium CAS Name: (2-bromo-3-hydroxy-4-methoxyphenyl)methyl-[2-(4-hydroxyphenyl)ethyl]ammonium IUPAC Name: (2-bromo-3-hydroxy-4-methoxyphenyl)methyl-[2-(4-hydroxyphenyl)ethyl]azanium Traditional Name: (2-bromo-3-hydroxy-4-methoxy-benzyl)-[2-(4-hydroxyphenyl)ethyl]ammonium Formula: C16H19BrNO3+ MolecularWeight: 353.23096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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