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

Systemtic Name: 2-[4-[6-cyclopentyloxy-2,3-bis(hydroxymethyl)-7-methoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Openeye Name: 2-[4-[6-(cyclopentoxy)-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthyl]-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride CAS Name: 2-[4-[6-cyclopentyloxy-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridin-1-iumyl)-1-phthalazinone chloride IUPAC Name: 2-[4-[6-cyclopentyloxy-2,3-bis(hydroxymethyl)-7-methoxynaphthalen-1-yl]pyridin-2-yl]-4-pyridin-1-ium-3-ylphthalazin-1-one chloride Traditional Name: 2-[4-[6-(cyclopentoxy)-7-methoxy-2,3-dimethylol-1-naphthyl]-2-pyridyl]-4-pyridin-1-ium-3-yl-phthalazin-1-one chloride Formula: C36H33ClN4O5 MolecularWeight: 637.12402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C(C=C2C=C1OC3CCCC3)CO)CO)C4=CC(=NC=C4)N5C(=O)C6=CC=CC=C6C(=N5)C7=C[NH+]=CC=C7.[Cl-]

Isomeric SMILES

COC1=CC2=C(C(=C(C=C2C=C1OC3CCCC3)CO)CO)C4=CC(=NC=C4)N5C(=O)C6=CC=CC=C6C(=N5)C7=C[NH+]=CC=C7.[Cl-]

InChI

InChI=1S/C36H32N4O5.ClH/c1-44-31-18-29-24(16-32(31)45-26-8-2-3-9-26)15-25(20-41)30(21-42)34(29)22-12-14-38-33(17-22)40-36(43)28-11-5-4-10-27(28)35(39-40)23-7-6-13-37-19-23;/h4-7,10-19,26,41-42H,2-3,8-9,20-21H2,1H3;1H