N-[1-[3,4-bis(oxidanyl)phenyl]ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N-[1-[3,4-bis(oxidanyl)phenyl]ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[1-(3,4-dihydroxyphenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[1-(3,4-dihydroxyphenyl)ethyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3,4-dihydroxyphenyl)ethyl]-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-[1-(3,4-dihydroxyphenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C15H17IN2O3 MolecularWeight: 400.21155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)O)O)NC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)O)O)NC(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C15H16N2O3.HI/c1-10(11-5-6-13(18)14(19)8-11)16-15(20)12-4-3-7-17(2)9-12;/h3-10H,1-2H3,(H2-,16,18,19,20);1H