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

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-oxidanylpiperidin-1-yl)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-5-(4-hydroxy-1-piperidyl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-hydroxy-1-piperidinyl)-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-hydroxypiperidin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-cyano-5-(4-hydroxypiperidino)phthalazin-1-yl]ammonium chloride Formula: C22H23Cl2N5O2 MolecularWeight: 460.35632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)O)C#N)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)O)C#N)Cl.[Cl-]

InChI

InChI=1S/C22H22ClN5O2.ClH/c1-30-21-3-2-14(9-19(21)23)12-25-22-17-8-15(11-24)10-20(18(17)13-26-27-22)28-6-4-16(29)5-7-28;/h2-3,8-10,13,16,29H,4-7,12H2,1H3,(H,25,27);1H