2,3-dimethylundecan-2-ylazanium; pentanoate

Systemtic Name: 2,3-dimethylundecan-2-ylazanium; pentanoate Openeye Name: pentanoate; 1,1,2-trimethyldecylammonium CAS Name: 2,3-dimethylundecan-2-ylammonium; pentanoate IUPAC Name: 2,3-dimethylundecan-2-ylazanium; pentanoate Traditional Name: 1,1,2-trimethyldecylammonium; valerate Formula: C18H39NO2 MolecularWeight: 301.50776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N.C5H10O2/c1-5-6-7-8-9-10-11-12(2)13(3,4)14;1-2-3-4-5(6)7/h12H,5-11,14H2,1-4H3;2-4H2,1H3,(H,6,7)