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

Systemtic Name: 2-azanyl-6-[3-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 2-amino-6-[3-hydroxy-5-(hydroxymethyl)pyridin-1-ium-1-yl]hexanoic acid CAS Name: 2-amino-6-[3-hydroxy-5-(hydroxymethyl)-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 2-amino-6-[3-hydroxy-5-(hydroxymethyl)pyridin-1-ium-1-yl]hexanoic acid Traditional Name: 2-amino-6-(3-hydroxy-5-methylol-pyridin-1-ium-1-yl)hexanoic acid Formula: C12H19N2O4+ MolecularWeight: 255.29026

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[N+](C=C1O)CCCCC(C(=O)O)N)CO

Isomeric SMILES

C1=C(C=[N+](C=C1O)CCCCC(C(=O)O)N)CO

InChI

InChI=1S/C12H18N2O4/c13-11(12(17)18)3-1-2-4-14-6-9(8-15)5-10(16)7-14/h5-7,11,15H,1-4,8,13H2,(H-,16,17,18)/p+1