[6,7-bis(chloranyl)-5-(4-oxidanylpiperidin-1-yl)phthalazin-1-yl]-[(3-chloranyl-4-methoxy-phenyl)methyl]azanium chloride

Systemtic Name: [6,7-bis(chloranyl)-5-(4-oxidanylpiperidin-1-yl)phthalazin-1-yl]-[(3-chloranyl-4-methoxy-phenyl)methyl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[6,7-dichloro-5-(4-hydroxy-1-piperidyl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[6,7-dichloro-5-(4-hydroxy-1-piperidinyl)-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[6,7-dichloro-5-(4-hydroxypiperidin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[6,7-dichloro-5-(4-hydroxypiperidino)phthalazin-1-yl]ammonium chloride Formula: C21H22Cl4N4O2 MolecularWeight: 504.23698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2=NN=CC3=C(C(=C(C=C32)Cl)Cl)N4CCC(CC4)O)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2=NN=CC3=C(C(=C(C=C32)Cl)Cl)N4CCC(CC4)O)Cl.[Cl-]

InChI

InChI=1S/C21H21Cl3N4O2.ClH/c1-30-18-3-2-12(8-16(18)22)10-25-21-14-9-17(23)19(24)20(15(14)11-26-27-21)28-6-4-13(29)5-7-28;/h2-3,8-9,11,13,29H,4-7,10H2,1H3,(H,25,27);1H