dibutylazanium; 3-methyl-2-(1-oxidanyl-1-pyridin-4-yl-ethyl)pentanoate

Systemtic Name: dibutylazanium; 3-methyl-2-(1-oxidanyl-1-pyridin-4-yl-ethyl)pentanoate Openeye Name: dibutylammonium; 2-[1-hydroxy-1-(4-pyridyl)ethyl]-3-methyl-pentanoate CAS Name: dibutylammonium; 2-(1-hydroxy-1-pyridin-4-ylethyl)-3-methylpentanoate IUPAC Name: dibutylazanium; 2-(1-hydroxy-1-pyridin-4-ylethyl)-3-methylpentanoate Traditional Name: dibutylammonium; 2-[1-hydroxy-1-(4-pyridyl)ethyl]-3-methyl-valerate Formula: C21H38N2O3 MolecularWeight: 366.53802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CCCC.CCC(C)C(C(=O)[O-])C(C)(C1=CC=NC=C1)O

Isomeric SMILES

CCCC[NH2+]CCCC.CCC(C)C(C(=O)[O-])C(C)(C1=CC=NC=C1)O

InChI

InChI=1S/C13H19NO3.C8H19N/c1-4-9(2)11(12(15)16)13(3,17)10-5-7-14-8-6-10;1-3-5-7-9-8-6-4-2/h5-9,11,17H,4H2,1-3H3,(H,15,16);9H,3-8H2,1-2H3