2-[6-[2,3-bis(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride

Systemtic Name: 2-[6-[2,3-bis(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Openeye Name: 2-[6-[2,3-bis(hydroxymethyl)-1-naphthyl]-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride CAS Name: 2-[6-[2,3-bis(hydroxymethyl)-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridin-1-iumyl)-1-phthalazinone chloride IUPAC Name: 2-[6-[2,3-bis(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-ylphthalazin-1-one chloride Traditional Name: 2-[6-(2,3-dimethylol-1-naphthyl)-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Formula: C30H23ClN4O3 MolecularWeight: 522.98162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2C3=NC(=CC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=C[NH+]=CC=C6)CO)CO.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2C3=NC(=CC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=C[NH+]=CC=C6)CO)CO.[Cl-]

InChI

InChI=1S/C30H22N4O3.ClH/c35-17-21-15-19-7-1-2-9-22(19)28(25(21)18-36)26-12-5-13-27(32-26)34-30(37)24-11-4-3-10-23(24)29(33-34)20-8-6-14-31-16-20;/h1-16,35-36H,17-18H2;1H