[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium

Systemtic Name: [3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium Openeye Name: [3-(3-bromophenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: [3-(3-bromophenoxy)-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)oxy]ethyl]-dimethylammonium IUPAC Name: [3-(3-bromophenoxy)-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)oxyethyl]-dimethylazanium Traditional Name: [3-(3-bromophenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium Formula: C17H25BrN5O3+ MolecularWeight: 427.3161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=NN=C(C=C1)NN)CC(COC2=CC(=CC=C2)Br)O

Isomeric SMILES

C[N+](C)(CCOC1=NN=C(C=C1)NN)CC(COC2=CC(=CC=C2)Br)O

InChI

InChI=1S/C17H25BrN5O3/c1-23(2,8-9-25-17-7-6-16(20-19)21-22-17)11-14(24)12-26-15-5-3-4-13(18)10-15/h3-7,10,14,24H,8-9,11-12,19H2,1-2H3,(H,20,21)/q+1