N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide Formula: C15H17N2O3+ MolecularWeight: 273.30708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C15H16N2O3/c1-17-8-2-3-12(10-17)15(20)16-7-6-11-4-5-13(18)14(19)9-11/h2-5,8-10H,6-7H2,1H3,(H2-,16,18,19,20)/p+1