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

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-3-oxidanidyl-5-(oxolan-3-yloxy)phthalazin-3-ium Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-3-oxido-5-tetrahydrofuran-3-yloxy-phthalazin-3-ium CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-3-oxido-5-(3-oxolanyloxy)phthalazin-3-ium IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-3-oxido-5-(oxolan-3-yloxy)phthalazin-3-ium Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-3-oxido-5-tetrahydrofuran-3-yloxy-phthalazin-3-ium Formula: C19H17Cl2N3O4 MolecularWeight: 422.26198

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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-])OC4CCOC4

Isomeric SMILES

COC1=C(C2=C[N+](=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)[O-])OC4CCOC4

InChI

InChI=1S/C19H17Cl2N3O4/c1-26-18-3-2-12-14(19(18)28-11-4-5-27-10-11)9-24(25)23-17(12)6-13-15(20)7-22-8-16(13)21/h2-3,7-9,11H,4-6,10H2,1H3