pyridine-3-carboxylic acid; trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium

Systemtic Name: pyridine-3-carboxylic acid; trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium Openeye Name: (4-hydroxy-4-oxo-butyl)-trimethyl-ammonium; nicotinic acid CAS Name: (4-hydroxy-4-oxobutyl)-trimethylammonium; 3-pyridinecarboxylic acid IUPAC Name: (4-hydroxy-4-oxobutyl)-trimethylazanium; pyridine-3-carboxylic acid Traditional Name: (4-hydroxy-4-keto-butyl)-trimethyl-ammonium; nicotinic acid Formula: C13H21N2O4+ MolecularWeight: 269.31684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO2.C6H5NO2/c1-8(2,3)6-4-5-7(9)10;8-6(9)5-2-1-3-7-4-5/h4-6H2,1-3H3;1-4H,(H,8,9)/p+1