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

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-(7-cyano-4-piperidin-1-yl-phthalazin-1-yl)azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-4-(1-piperidyl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-4-(1-piperidinyl)-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-(7-cyano-4-piperidin-1-ylphthalazin-1-yl)azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-(7-cyano-4-piperidino-phthalazin-1-yl)ammonium chloride Formula: C22H23Cl2N5O MolecularWeight: 444.35692

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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)N4CCCCC4)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2=NN=C(C3=C2C=C(C=C3)C#N)N4CCCCC4)Cl.[Cl-]

InChI

InChI=1S/C22H22ClN5O.ClH/c1-29-20-8-6-16(12-19(20)23)14-25-21-18-11-15(13-24)5-7-17(18)22(27-26-21)28-9-3-2-4-10-28;/h5-8,11-12H,2-4,9-10,14H2,1H3,(H,25,26);1H