1-[3,5-bis(oxidanyl)phenyl]-4,4-dimethyl-3-(pyridin-1-ium-1-ylmethyl)pentan-1-one

Systemtic Name: 1-[3,5-bis(oxidanyl)phenyl]-4,4-dimethyl-3-(pyridin-1-ium-1-ylmethyl)pentan-1-one Openeye Name: 1-(3,5-dihydroxyphenyl)-4,4-dimethyl-3-(pyridin-1-ium-1-ylmethyl)pentan-1-one CAS Name: 1-(3,5-dihydroxyphenyl)-4,4-dimethyl-3-(1-pyridin-1-iumylmethyl)-1-pentanone IUPAC Name: 1-(3,5-dihydroxyphenyl)-4,4-dimethyl-3-(pyridin-1-ium-1-ylmethyl)pentan-1-one Traditional Name: 1-(3,5-dihydroxyphenyl)-4,4-dimethyl-3-(pyridin-1-ium-1-ylmethyl)pentan-1-one Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)C1=CC(=CC(=C1)O)O)C[N+]2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(CC(=O)C1=CC(=CC(=C1)O)O)C[N+]2=CC=CC=C2

InChI

InChI=1S/C19H23NO3/c1-19(2,3)15(13-20-7-5-4-6-8-20)11-18(23)14-9-16(21)12-17(22)10-14/h4-10,12,15H,11,13H2,1-3H3,(H-,21,22)/p+1