(4,4-dimethyl-2-oxidanyl-3-oxidanylidene-pentyl)-trimethyl-azanium; 2,2-dimethylpropanoate

Systemtic Name: (4,4-dimethyl-2-oxidanyl-3-oxidanylidene-pentyl)-trimethyl-azanium; 2,2-dimethylpropanoate Openeye Name: 2,2-dimethylpropanoate; (2-hydroxy-4,4-dimethyl-3-oxo-pentyl)-trimethyl-ammonium CAS Name: 2,2-dimethylpropanoate; (2-hydroxy-4,4-dimethyl-3-oxopentyl)-trimethylammonium IUPAC Name: 2,2-dimethylpropanoate; (2-hydroxy-4,4-dimethyl-3-oxopentyl)-trimethylazanium Traditional Name: 2,2-dimethylpropionate; (2-hydroxy-3-keto-4,4-dimethyl-pentyl)-trimethyl-ammonium Formula: C15H31NO4 MolecularWeight: 289.41094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H22NO2.C5H10O2/c1-10(2,3)9(13)8(12)7-11(4,5)6;1-5(2,3)4(6)7/h8,12H,7H2,1-6H3;1-3H3,(H,6,7)/q+1;/p-1