[3-(3-chloranyl-2-ethyl-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1Cl)OCC(C[N+](C)(C)CCOC2=NN=C(C=C2)NN)O

Isomeric SMILES

CCC1=C(C=CC=C1Cl)OCC(C[N+](C)(C)CCOC2=NN=C(C=C2)NN)O

InChI

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