dimethyl-[3-[4-(phenylmethyl)phthalazin-1-yl]oxypropyl]azanium chloride

Systemtic Name: dimethyl-[3-[4-(phenylmethyl)phthalazin-1-yl]oxypropyl]azanium chloride Openeye Name: 3-(4-benzylphthalazin-1-yl)oxypropyl-dimethyl-ammonium chloride CAS Name: dimethyl-[3-[[4-(phenylmethyl)-1-phthalazinyl]oxy]propyl]ammonium chloride IUPAC Name: 3-(4-benzylphthalazin-1-yl)oxypropyl-dimethylazanium chloride Traditional Name: 3-(4-benzylphthalazin-1-yl)oxypropyl-dimethyl-ammonium chloride Formula: C20H24ClN3O MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+](C)CCCOC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H23N3O.ClH/c1-23(2)13-8-14-24-20-18-12-7-6-11-17(18)19(21-22-20)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H