2,3-dimethylnonan-2-ylazanium; pentanoate

Systemtic Name: 2,3-dimethylnonan-2-ylazanium; pentanoate Openeye Name: pentanoate; 1,1,2-trimethyloctylammonium CAS Name: 2,3-dimethylnonan-2-ylammonium; pentanoate IUPAC Name: 2,3-dimethylnonan-2-ylazanium; pentanoate Traditional Name: 1,1,2-trimethyloctylammonium; valerate Formula: C16H35NO2 MolecularWeight: 273.4546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(C)(C)[NH3+].CCCCC(=O)[O-]

Isomeric SMILES

CCCCCCC(C)C(C)(C)[NH3+].CCCCC(=O)[O-]

InChI

InChI=1S/C11H25N.C5H10O2/c1-5-6-7-8-9-10(2)11(3,4)12;1-2-3-4-5(6)7/h10H,5-9,12H2,1-4H3;2-4H2,1H3,(H,6,7)