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

Systemtic Name: 2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Openeye Name: 2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)-1-naphthyl]-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride CAS Name: 2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridin-1-iumyl)-1-phthalazinone chloride IUPAC Name: 2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-ylphthalazin-1-one chloride Traditional Name: 2-[4-(6,7-diethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Formula: C34H31ClN4O5 MolecularWeight: 611.08674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(C(=C2C=C1OCC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=C[NH+]=CC=C6)CO)CO.[Cl-]

Isomeric SMILES

CCOC1=CC2=CC(=C(C(=C2C=C1OCC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=C[NH+]=CC=C6)CO)CO.[Cl-]

InChI

InChI=1S/C34H30N4O5.ClH/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22;/h5-18,39-40H,3-4,19-20H2,1-2H3;1H