2,3-dimethylbutan-2-ylazanium; pentanoate

Systemtic Name: 2,3-dimethylbutan-2-ylazanium; pentanoate Openeye Name: pentanoate; 1,1,2-trimethylpropylammonium CAS Name: 2,3-dimethylbutan-2-ylammonium; pentanoate IUPAC Name: 2,3-dimethylbutan-2-ylazanium; pentanoate Traditional Name: thexylammonium; valerate Formula: C11H25NO2 MolecularWeight: 203.3217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H15N.C5H10O2/c1-5(2)6(3,4)7;1-2-3-4-5(6)7/h5H,7H2,1-4H3;2-4H2,1H3,(H,6,7)