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

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-phenylmethoxy-naphthalen-1-yl]pyridin-1-ium-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one dichloride Openeye Name: 2-[4-[6-benzyloxy-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthyl]pyridin-1-ium-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one dichloride CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-phenylmethoxy-1-naphthalenyl]-2-pyridin-1-iumyl]-4-(3-pyridin-1-iumyl)-1-phthalazinone dichloride IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-phenylmethoxynaphthalen-1-yl]pyridin-1-ium-2-yl]-4-pyridin-1-ium-3-ylphthalazin-1-one dichloride Traditional Name: 2-[4-(6-benzoxy-7-methoxy-2,3-dimethylol-1-naphthyl)pyridin-1-ium-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one dichloride Formula: C38H32Cl2N4O5 MolecularWeight: 695.59048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H30N4O5.2ClH/c1-46-33-19-31-27(17-34(33)47-23-24-8-3-2-4-9-24)16-28(21-43)32(22-44)36(31)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;2*1H