(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl-[2-(dimethylazaniumyl)ethyl]-methyl-azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl-[2-(dimethylazaniumyl)ethyl]-methyl-azanium Openeye Name: (5-bromo-2-hydroxy-3-methoxy-phenyl)methyl-[2-(dimethylammonio)ethyl]-methyl-ammonium CAS Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-[2-(dimethylammonio)ethyl]-methylammonium IUPAC Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium Traditional Name: (5-bromo-2-hydroxy-3-methoxy-benzyl)-[2-(dimethylammonio)ethyl]-methyl-ammonium Formula: C13H23BrN2O2+2 MolecularWeight: 319.23792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](C)CC1=CC(=CC(=C1O)OC)Br

Isomeric SMILES

C[NH+](C)CC[NH+](C)CC1=CC(=CC(=C1O)OC)Br

InChI

InChI=1S/C13H21BrN2O2/c1-15(2)5-6-16(3)9-10-7-11(14)8-12(18-4)13(10)17/h7-8,17H,5-6,9H2,1-4H3/p+2