[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-[2-[carboxy(furan-2-yl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-[2-[carboxy(furan-2-yl)amino]ethyl]-dimethyl-azanium Openeye Name: 2-[carboxy(2-furyl)amino]ethyl-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-dimethyl-ammonium CAS Name: 2-[carboxy(2-furanyl)amino]ethyl-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-dimethylammonium IUPAC Name: 2-[carboxy(furan-2-yl)amino]ethyl-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-dimethylazanium Traditional Name: 2-[carboxy(2-furyl)amino]ethyl-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-dimethyl-ammonium Formula: C17H23N2O6+ MolecularWeight: 351.37432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCN(C1=CC=CO1)C(=O)O)CC(C2=CC(=C(C=C2)O)O)O

Isomeric SMILES

C[N+](C)(CCN(C1=CC=CO1)C(=O)O)CC(C2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C17H22N2O6/c1-19(2,8-7-18(17(23)24)16-4-3-9-25-16)11-15(22)12-5-6-13(20)14(21)10-12/h3-6,9-10,15,22H,7-8,11H2,1-2H3,(H2-,20,21,23,24)/p+1