3-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol

Systemtic Name: 3-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol Openeye Name: 3-[(1-oxidopyridin-1-ium-3-yl)methyl]-6-(2-quinolylmethoxy)chroman-4-ol CAS Name: 3-[(1-oxido-3-pyridin-1-iumyl)methyl]-6-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: 3-[(1-oxidopyridin-1-ium-3-yl)methyl]-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol Traditional Name: 3-[(1-oxidopyridin-1-ium-3-yl)methyl]-6-(2-quinolylmethoxy)chroman-4-ol Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)O)CC5=C[N+](=CC=C5)[O-]

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)O)CC5=C[N+](=CC=C5)[O-]

InChI

InChI=1S/C25H22N2O4/c28-25-19(12-17-4-3-11-27(29)14-17)15-31-24-10-9-21(13-22(24)25)30-16-20-8-7-18-5-1-2-6-23(18)26-20/h1-11,13-14,19,25,28H,12,15-16H2