butanoate; 2,3-dimethylundecan-2-ylazanium

Systemtic Name: butanoate; 2,3-dimethylundecan-2-ylazanium Openeye Name: butanoate; 1,1,2-trimethyldecylammonium CAS Name: butanoate; 2,3-dimethylundecan-2-ylammonium IUPAC Name: butanoate; 2,3-dimethylundecan-2-ylazanium Traditional Name: butyrate; 1,1,2-trimethyldecylammonium Formula: C17H37NO2 MolecularWeight: 287.48118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N.C4H8O2/c1-5-6-7-8-9-10-11-12(2)13(3,4)14;1-2-3-4(5)6/h12H,5-11,14H2,1-4H3;2-3H2,1H3,(H,5,6)