(3-bromanyl-4,5-dimethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (3-bromo-4,5-dimethoxy-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C13H23BrN2O2+2 MolecularWeight: 319.23792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC[NH2+]CC1=CC(=C(C(=C1)Br)OC)OC

Isomeric SMILES

C[NH2+]CCC[NH2+]CC1=CC(=C(C(=C1)Br)OC)OC

InChI

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