2-azanyl-6-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-azanyl-6-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 2-amino-6-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]hexanoic acid CAS Name: 2-amino-6-[3-(hydroxymethyl)-5-methoxy-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 2-amino-6-[3-(hydroxymethyl)-5-methoxypyridin-1-ium-1-yl]hexanoic acid Traditional Name: 2-amino-6-(3-methoxy-5-methylol-pyridin-1-ium-1-yl)hexanoic acid Formula: C13H21N2O4+ MolecularWeight: 269.31684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C[N+](=CC(=C1)CO)CCCCC(C(=O)O)N

Isomeric SMILES

COC1=C[N+](=CC(=C1)CO)CCCCC(C(=O)O)N

InChI

InChI=1S/C13H20N2O4/c1-19-11-6-10(9-16)7-15(8-11)5-3-2-4-12(14)13(17)18/h6-8,12,16H,2-5,9,14H2,1H3/p+1