[3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-[3-(6-diazanylpyridazin-3-yl)oxypropyl]-dimethyl-azanium

Systemtic Name: [3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-[3-(6-diazanylpyridazin-3-yl)oxypropyl]-dimethyl-azanium Openeye Name: [3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-[3-(6-hydrazinopyridazin-3-yl)oxypropyl]-dimethyl-ammonium CAS Name: [3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-[3-[(6-hydrazinyl-3-pyridazinyl)oxy]propyl]-dimethylammonium IUPAC Name: [3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-[3-(6-hydrazinylpyridazin-3-yl)oxypropyl]-dimethylazanium Traditional Name: [3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-[3-(6-hydrazinopyridazin-3-yl)oxypropyl]-dimethyl-ammonium Formula: C19H29ClN5O3+ MolecularWeight: 410.91826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(C[N+](C)(C)CCCOC2=NN=C(C=C2)NN)O

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(C[N+](C)(C)CCCOC2=NN=C(C=C2)NN)O

InChI

InChI=1S/C19H29ClN5O3/c1-14-5-6-16(20)17(11-14)28-13-15(26)12-25(2,3)9-4-10-27-19-8-7-18(22-21)23-24-19/h5-8,11,15,26H,4,9-10,12-13,21H2,1-3H3,(H,22,23)/q+1