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

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-6-methoxy-7-phenylmethoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Openeye Name: 2-[4-[7-benzyloxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthyl]-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-6-methoxy-7-phenylmethoxy-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridin-1-iumyl)-1-phthalazinone chloride IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-6-methoxy-7-phenylmethoxynaphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-ylphthalazin-1-one chloride Traditional Name: 2-[4-(7-benzoxy-6-methoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Formula: C38H31ClN4O5 MolecularWeight: 659.12954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OCC3=CC=CC=C3)C4=CC(=NC=C4)N5C(=O)C6=CC=CC=C6C(=N5)C7=C[NH+]=CC=C7)CO)CO.[Cl-]

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OCC3=CC=CC=C3)C4=CC(=NC=C4)N5C(=O)C6=CC=CC=C6C(=N5)C7=C[NH+]=CC=C7)CO)CO.[Cl-]

InChI

InChI=1S/C38H30N4O5.ClH/c1-46-33-17-27-16-28(21-43)32(22-44)36(31(27)19-34(33)47-23-24-8-3-2-4-9-24)25-13-15-40-35(18-25)42-38(45)30-12-6-5-11-29(30)37(41-42)26-10-7-14-39-20-26;/h2-20,43-44H,21-23H2,1H3;1H