2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-1-oxidanylidene-2H-quinolin-1-ium-5-ol

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-1-oxidanylidene-2H-quinolin-1-ium-5-ol Openeye Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]-1-oxo-2H-quinolin-1-ium-5-ol CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-pyridinyl]-1-oxo-2H-quinolin-1-ium-5-ol IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]pyridin-2-yl]-1-oxo-2H-quinolin-1-ium-5-ol Traditional Name: 2-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-1-keto-2H-quinolin-1-ium-5-ol Formula: C28H25N2O6+ MolecularWeight: 485.5079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)C4C=CC5=C([N+]4=O)C=CC=C5O)CO)CO

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)C4C=CC5=C([N+]4=O)C=CC=C5O)CO)CO

InChI

InChI=1S/C28H24N2O6/c1-35-26-12-17-10-18(14-31)21(15-32)28(20(17)13-27(26)36-2)16-8-9-29-22(11-16)24-7-6-19-23(30(24)34)4-3-5-25(19)33/h3-13,24,31-32H,14-15H2,1-2H3/p+1