1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]azepan-1-ium

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]azepan-1-ium Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]azepan-1-ium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]azepan-1-ium IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]azepan-1-ium Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)azepan-1-ium Formula: C15H23BrNO2+ MolecularWeight: 329.25262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCCCCC2)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCCCCC2)Br)OC

InChI

InChI=1S/C15H22BrNO2/c1-18-14-10-15(19-2)13(16)9-12(14)11-17-7-5-3-4-6-8-17/h9-10H,3-8,11H2,1-2H3/p+1