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

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-methoxypiperidin-1-yl)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-5-(4-methoxy-1-piperidyl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-methoxy-1-piperidinyl)-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-methoxypiperidin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-cyano-5-(4-methoxypiperidino)phthalazin-1-yl]ammonium chloride Formula: C23H25Cl2N5O2 MolecularWeight: 474.3829

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)[NH2+]CC4=CC(=C(C=C4)OC)Cl)C#N.[Cl-]

Isomeric SMILES

COC1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)[NH2+]CC4=CC(=C(C=C4)OC)Cl)C#N.[Cl-]

InChI

InChI=1S/C23H24ClN5O2.ClH/c1-30-17-5-7-29(8-6-17)21-11-16(12-25)9-18-19(21)14-27-28-23(18)26-13-15-3-4-22(31-2)20(24)10-15;/h3-4,9-11,14,17H,5-8,13H2,1-2H3,(H,26,28);1H