2-azanyl-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]hexanoate

Systemtic Name: 2-azanyl-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]hexanoate Openeye Name: 2-amino-6-[3-hydroxy-4-(hydroxymethyl)pyridin-1-ium-1-yl]hexanoate CAS Name: 2-amino-6-[3-hydroxy-4-(hydroxymethyl)-1-pyridin-1-iumyl]hexanoate IUPAC Name: 2-amino-6-[3-hydroxy-4-(hydroxymethyl)pyridin-1-ium-1-yl]hexanoate Traditional Name: 2-amino-6-(3-hydroxy-4-methylol-pyridin-1-ium-1-yl)hexanoate Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC(=C1CO)O)CCCCC(C(=O)[O-])N

Isomeric SMILES

C1=C[N+](=CC(=C1CO)O)CCCCC(C(=O)[O-])N

InChI

InChI=1S/C12H18N2O4/c13-10(12(17)18)3-1-2-5-14-6-4-9(8-15)11(16)7-14/h4,6-7,10,15H,1-3,5,8,13H2,(H-,16,17,18)