3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(3-bromo-4-hydroxy-5-methoxy-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C13H23BrN2O2+2 MolecularWeight: 319.23792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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