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

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-(dimethylcarbamoyl)-4-(4-oxidanylpiperidin-1-yl)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-(dimethylcarbamoyl)-4-(4-hydroxy-1-piperidyl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-[dimethylamino(oxo)methyl]-4-(4-hydroxy-1-piperidinyl)-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-(dimethylcarbamoyl)-4-(4-hydroxypiperidin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-(dimethylcarbamoyl)-4-(4-hydroxypiperidino)phthalazin-1-yl]ammonium chloride Formula: C24H29Cl2N5O3 MolecularWeight: 506.42476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC2=C(C=C1)C(=NN=C2[NH2+]CC3=CC(=C(C=C3)OC)Cl)N4CCC(CC4)O.[Cl-]

Isomeric SMILES

CN(C)C(=O)C1=CC2=C(C=C1)C(=NN=C2[NH2+]CC3=CC(=C(C=C3)OC)Cl)N4CCC(CC4)O.[Cl-]

InChI

InChI=1S/C24H28ClN5O3.ClH/c1-29(2)24(32)16-5-6-18-19(13-16)22(26-14-15-4-7-21(33-3)20(25)12-15)27-28-23(18)30-10-8-17(31)9-11-30;/h4-7,12-13,17,31H,8-11,14H2,1-3H3,(H,26,27);1H