diethyl-(phenylmethyl)-[2-[4-(phenylmethyl)phthalazin-1-yl]oxyethyl]azanium

Systemtic Name: diethyl-(phenylmethyl)-[2-[4-(phenylmethyl)phthalazin-1-yl]oxyethyl]azanium Openeye Name: benzyl-[2-(4-benzylphthalazin-1-yl)oxyethyl]-diethyl-ammonium CAS Name: diethyl-(phenylmethyl)-[2-[[4-(phenylmethyl)-1-phthalazinyl]oxy]ethyl]ammonium IUPAC Name: benzyl-[2-(4-benzylphthalazin-1-yl)oxyethyl]-diethylazanium Traditional Name: benzyl-[2-(4-benzylphthalazin-1-yl)oxyethyl]-diethyl-ammonium Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCOC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC[N+](CC)(CCOC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N3O/c1-3-31(4-2,22-24-15-9-6-10-16-24)19-20-32-28-26-18-12-11-17-25(26)27(29-30-28)21-23-13-7-5-8-14-23/h5-18H,3-4,19-22H2,1-2H3/q+1