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

Systemtic Name: 2-azanyl-4-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]butanoic acid Openeye Name: 2-amino-4-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]butanoic acid CAS Name: 2-amino-4-[3-(hydroxymethyl)-5-methoxy-1-pyridin-1-iumyl]butanoic acid IUPAC Name: 2-amino-4-[3-(hydroxymethyl)-5-methoxypyridin-1-ium-1-yl]butanoic acid Traditional Name: 2-amino-4-(3-methoxy-5-methylol-pyridin-1-ium-1-yl)butyric acid Formula: C11H17N2O4+ MolecularWeight: 241.26368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O4/c1-17-9-4-8(7-14)5-13(6-9)3-2-10(12)11(15)16/h4-6,10,14H,2-3,7,12H2,1H3/p+1