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

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-4-(4-oxidanylpiperidin-1-yl)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-4-(4-hydroxy-1-piperidyl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-4-(4-hydroxy-1-piperidinyl)-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-4-(4-hydroxypiperidin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-cyano-4-(4-hydroxypiperidino)phthalazin-1-yl]ammonium chloride Formula: C22H23Cl2N5O2 MolecularWeight: 462.348862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][14C]2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)Cl.[Cl-]

InChI

InChI=1S/C22H22ClN5O2.ClH/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28;/h2-5,10-11,16,29H,6-9,13H2,1H3,(H,25,26);1H/i21+2;