dimethyl 6,7-dimethoxy-1-[2-(1-oxidanylidene-4-pyridin-1-ium-3-yl-phthalazin-2-yl)pyridin-4-yl]naphthalene-2,3-dicarboxylate chloride

Systemtic Name: dimethyl 6,7-dimethoxy-1-[2-(1-oxidanylidene-4-pyridin-1-ium-3-yl-phthalazin-2-yl)pyridin-4-yl]naphthalene-2,3-dicarboxylate chloride Openeye Name: dimethyl 6,7-dimethoxy-1-[2-(1-oxo-4-pyridin-1-ium-3-yl-phthalazin-2-yl)-4-pyridyl]naphthalene-2,3-dicarboxylate chloride CAS Name: 6,7-dimethoxy-1-[2-[1-oxo-4-(3-pyridin-1-iumyl)-2-phthalazinyl]-4-pyridinyl]naphthalene-2,3-dicarboxylic acid dimethyl ester chloride IUPAC Name: dimethyl 6,7-dimethoxy-1-[2-(1-oxo-4-pyridin-1-ium-3-ylphthalazin-2-yl)pyridin-4-yl]naphthalene-2,3-dicarboxylate chloride Traditional Name: 1-[2-(1-keto-4-pyridin-1-ium-3-yl-phthalazin-2-yl)-4-pyridyl]-6,7-dimethoxy-naphthalene-2,3-dicarboxylic acid dimethyl ester chloride Formula: C34H27ClN4O7 MolecularWeight: 639.05378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H26N4O7.ClH/c1-42-26-15-21-14-25(33(40)44-3)30(34(41)45-4)29(24(21)17-27(26)43-2)19-11-13-36-28(16-19)38-32(39)23-10-6-5-9-22(23)31(37-38)20-8-7-12-35-18-20;/h5-18H,1-4H3;1H