[3-(2-cyanophenoxy)-2-oxidanyl-propyl]-[3-(6-diazanylpyridazin-3-yl)oxypropyl]-dimethyl-azanium

Systemtic Name: [3-(2-cyanophenoxy)-2-oxidanyl-propyl]-[3-(6-diazanylpyridazin-3-yl)oxypropyl]-dimethyl-azanium Openeye Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-[3-(6-hydrazinopyridazin-3-yl)oxypropyl]-dimethyl-ammonium CAS Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-[3-[(6-hydrazinyl-3-pyridazinyl)oxy]propyl]-dimethylammonium IUPAC Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-[3-(6-hydrazinylpyridazin-3-yl)oxypropyl]-dimethylazanium Traditional Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-[3-(6-hydrazinopyridazin-3-yl)oxypropyl]-dimethyl-ammonium Formula: C19H27N6O3+ MolecularWeight: 387.45608

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCOC1=NN=C(C=C1)NN)CC(COC2=CC=CC=C2C#N)O

Isomeric SMILES

C[N+](C)(CCCOC1=NN=C(C=C1)NN)CC(COC2=CC=CC=C2C#N)O

InChI

InChI=1S/C19H27N6O3/c1-25(2,10-5-11-27-19-9-8-18(22-21)23-24-19)13-16(26)14-28-17-7-4-3-6-15(17)12-20/h3-4,6-9,16,26H,5,10-11,13-14,21H2,1-2H3,(H,22,23)/q+1