azanium 2-(1-oxidanyl-1-pyridin-3-yl-ethyl)hexanoate

Systemtic Name: azanium 2-(1-oxidanyl-1-pyridin-3-yl-ethyl)hexanoate Openeye Name: ammonium 2-[1-hydroxy-1-(3-pyridyl)ethyl]hexanoate CAS Name: ammonium 2-[1-hydroxy-1-(3-pyridinyl)ethyl]hexanoate IUPAC Name: azanium 2-(1-hydroxy-1-pyridin-3-ylethyl)hexanoate Traditional Name: ammonium 2-[1-hydroxy-1-(3-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=CN=CC=C1)O.[NH4+]

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3.H3N/c1-3-4-7-11(12(15)16)13(2,17)10-6-5-8-14-9-10;/h5-6,8-9,11,17H,3-4,7H2,1-2H3,(H,15,16);1H3