3-[[(1S)-1-[2,5-bis(oxidanyl)phenyl]ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1S)-1-[2,5-bis(oxidanyl)phenyl]ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(2,5-dihydroxyphenyl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(2,5-dihydroxyphenyl)ethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(2,5-dihydroxyphenyl)ethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(2,5-dihydroxyphenyl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C13H24N2O2+2 MolecularWeight: 240.34186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)O)O)[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C13H22N2O2/c1-10(14-7-4-8-15(2)3)12-9-11(16)5-6-13(12)17/h5-6,9-10,14,16-17H,4,7-8H2,1-3H3/p+2/t10-/m0/s1