2,3-dimethyldecan-2-ylazanium; pentanoate

Systemtic Name: 2,3-dimethyldecan-2-ylazanium; pentanoate Openeye Name: pentanoate; 1,1,2-trimethylnonylammonium CAS Name: 2,3-dimethyldecan-2-ylammonium; pentanoate IUPAC Name: 2,3-dimethyldecan-2-ylazanium; pentanoate Traditional Name: 1,1,2-trimethylnonylammonium; valerate Formula: C17H37NO2 MolecularWeight: 287.48118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N.C5H10O2/c1-5-6-7-8-9-10-11(2)12(3,4)13;1-2-3-4-5(6)7/h11H,5-10,13H2,1-4H3;2-4H2,1H3,(H,6,7)