2-acetamido-4-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]butanoic acid

Systemtic Name: 2-acetamido-4-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]butanoic acid Openeye Name: 2-acetamido-4-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]butanoic acid CAS Name: 2-acetamido-4-[3-(hydroxymethyl)-5-methoxy-1-pyridin-1-iumyl]butanoic acid IUPAC Name: 2-acetamido-4-[3-(hydroxymethyl)-5-methoxypyridin-1-ium-1-yl]butanoic acid Traditional Name: 2-acetamido-4-(3-methoxy-5-methylol-pyridin-1-ium-1-yl)butyric acid Formula: C13H19N2O5+ MolecularWeight: 283.30036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC[N+]1=CC(=CC(=C1)OC)CO)C(=O)O

Isomeric SMILES

CC(=O)NC(CC[N+]1=CC(=CC(=C1)OC)CO)C(=O)O

InChI

InChI=1S/C13H18N2O5/c1-9(17)14-12(13(18)19)3-4-15-6-10(8-16)5-11(7-15)20-2/h5-7,12,16H,3-4,8H2,1-2H3,(H-,14,17,18,19)/p+1