benzoic acid; [2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: benzoic acid; [2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: benzoic acid; (2,4-dihydroxy-4-oxo-butyl)-trimethyl-ammonium CAS Name: benzoic acid; (2,4-dihydroxy-4-oxobutyl)-trimethylammonium IUPAC Name: benzoic acid; (2,4-dihydroxy-4-oxobutyl)-trimethylazanium Traditional Name: benzoic acid; (2,4-dihydroxy-4-keto-butyl)-trimethyl-ammonium Formula: C14H22NO5+ MolecularWeight: 284.32818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C7H6O2/c1-8(2,3)5-6(9)4-7(10)11;8-7(9)6-4-2-1-3-5-6/h6,9H,4-5H2,1-3H3;1-5H,(H,8,9)/p+1