[3,4-bis(oxidanyl)-4-oxidanylidene-butyl]-(oxidanylidenemethylidene)-(phenylmethyl)azanium

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-butyl]-(oxidanylidenemethylidene)-(phenylmethyl)azanium Openeye Name: benzyl-(3,4-dihydroxy-4-oxo-butyl)-(oxomethylene)ammonium CAS Name: (3,4-dihydroxy-4-oxobutyl)-(oxomethylidene)-(phenylmethyl)ammonium IUPAC Name: benzyl-(3,4-dihydroxy-4-oxobutyl)-(oxomethylidene)azanium Traditional Name: benzyl-(3,4-dihydroxy-4-keto-butyl)-(ketomethylene)ammonium Formula: C12H14NO4+ MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+](=C=O)CCC(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C[N+](=C=O)CCC(C(=O)O)O

InChI

InChI=1S/C12H13NO4/c14-9-13(7-6-11(15)12(16)17)8-10-4-2-1-3-5-10/h1-5,11,15H,6-8H2/p+1