(3-bromanyl-4,5-dimethoxy-phenyl)methyl-[2-(2-hydroxyethyloxy)ethyl]azanium

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-[2-(2-hydroxyethyloxy)ethyl]azanium Openeye Name: (3-bromo-4,5-dimethoxy-phenyl)methyl-[2-(2-hydroxyethoxy)ethyl]ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-[2-(2-hydroxyethoxy)ethyl]ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methyl-[2-(2-hydroxyethoxy)ethyl]azanium Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-[2-(2-hydroxyethoxy)ethyl]ammonium Formula: C13H21BrNO4+ MolecularWeight: 335.21414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO4/c1-17-12-8-10(7-11(14)13(12)18-2)9-15-3-5-19-6-4-16/h7-8,15-16H,3-6,9H2,1-2H3/p+1