2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride

Systemtic Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Openeye Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride CAS Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridin-1-iumyl)-1-phthalazinone chloride IUPAC Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-ylphthalazin-1-one chloride Traditional Name: 2-[4-(6,7-dimethoxy-3-methylol-1-naphthyl)-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Formula: C31H25ClN4O4 MolecularWeight: 553.0076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=CC(=C2C=C1OC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=C[NH+]=CC=C6)CO.[Cl-]

Isomeric SMILES

COC1=CC2=CC(=CC(=C2C=C1OC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=C[NH+]=CC=C6)CO.[Cl-]

InChI

InChI=1S/C31H24N4O4.ClH/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21;/h3-17,36H,18H2,1-2H3;1H