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

Systemtic Name: [3-(2-cyano-5-methyl-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium Openeye Name: [3-(2-cyano-5-methyl-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: [3-(2-cyano-5-methylphenoxy)-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)oxy]ethyl]-dimethylammonium IUPAC Name: [3-(2-cyano-5-methylphenoxy)-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)oxyethyl]-dimethylazanium Traditional Name: [3-(2-cyano-5-methyl-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium Formula: C19H27N6O3+ MolecularWeight: 387.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N6O3/c1-14-4-5-15(11-20)17(10-14)28-13-16(26)12-25(2,3)8-9-27-19-7-6-18(22-21)23-24-19/h4-7,10,16,26H,8-9,12-13,21H2,1-3H3,(H,22,23)/q+1