2,3-dimethylheptan-2-ylazanium; pentanoate

Systemtic Name: 2,3-dimethylheptan-2-ylazanium; pentanoate Openeye Name: pentanoate; 1,1,2-trimethylhexylammonium CAS Name: 2,3-dimethylheptan-2-ylammonium; pentanoate IUPAC Name: 2,3-dimethylheptan-2-ylazanium; pentanoate Traditional Name: 1,1,2-trimethylhexylammonium; valerate Formula: C14H31NO2 MolecularWeight: 245.40144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H21N.C5H10O2/c1-5-6-7-8(2)9(3,4)10;1-2-3-4-5(6)7/h8H,5-7,10H2,1-4H3;2-4H2,1H3,(H,6,7)