1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-5-(oxan-2-ylmethoxy)-3-oxidanidyl-phthalazin-3-ium

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-5-(oxan-2-ylmethoxy)-3-oxidanidyl-phthalazin-3-ium Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-3-oxido-5-(tetrahydropyran-2-ylmethoxy)phthalazin-3-ium CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(2-oxanylmethoxy)-3-oxidophthalazin-3-ium IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-5-(oxan-2-ylmethoxy)-3-oxidophthalazin-3-ium Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-3-oxido-5-(tetrahydropyran-2-ylmethoxy)phthalazin-3-ium Formula: C21H21Cl2N3O4 MolecularWeight: 450.31514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[N+](=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)[O-])OCC4CCCCO4

Isomeric SMILES

COC1=C(C2=C[N+](=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)[O-])OCC4CCCCO4

InChI

InChI=1S/C21H21Cl2N3O4/c1-28-20-6-5-14-16(21(20)30-12-13-4-2-3-7-29-13)11-26(27)25-19(14)8-15-17(22)9-24-10-18(15)23/h5-6,9-11,13H,2-4,7-8,12H2,1H3