azanium 2-(1-oxidanyl-1-pyridin-4-yl-ethyl)hexanoate

Systemtic Name: azanium 2-(1-oxidanyl-1-pyridin-4-yl-ethyl)hexanoate Openeye Name: ammonium 2-[1-hydroxy-1-(4-pyridyl)ethyl]hexanoate CAS Name: ammonium 2-(1-hydroxy-1-pyridin-4-ylethyl)hexanoate IUPAC Name: azanium 2-(1-hydroxy-1-pyridin-4-ylethyl)hexanoate Traditional Name: ammonium 2-[1-hydroxy-1-(4-pyridyl)ethyl]hexanoate Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])C(C)(C1=CC=NC=C1)O.[NH4+]

Isomeric SMILES

CCCCC(C(=O)[O-])C(C)(C1=CC=NC=C1)O.[NH4+]

InChI

InChI=1S/C13H19NO3.H3N/c1-3-4-5-11(12(15)16)13(2,17)10-6-8-14-9-7-10;/h6-9,11,17H,3-5H2,1-2H3,(H,15,16);1H3