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

Systemtic Name: [3-(5-chloranyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium Openeye Name: [3-(5-chloro-2-methyl-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: [3-(5-chloro-2-methylphenoxy)-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)oxy]ethyl]-dimethylammonium IUPAC Name: [3-(5-chloro-2-methylphenoxy)-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)oxyethyl]-dimethylazanium Traditional Name: [3-(5-chloro-2-methyl-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium Formula: C18H27ClN5O3+ MolecularWeight: 396.89168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)OCC(C[N+](C)(C)CCOC2=NN=C(C=C2)NN)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)OCC(C[N+](C)(C)CCOC2=NN=C(C=C2)NN)O

InChI

InChI=1S/C18H27ClN5O3/c1-13-4-5-14(19)10-16(13)27-12-15(25)11-24(2,3)8-9-26-18-7-6-17(21-20)22-23-18/h4-7,10,15,25H,8-9,11-12,20H2,1-3H3,(H,21,22)/q+1