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

Systemtic Name: [3-(2-cyano-3-methyl-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium Openeye Name: [3-(2-cyano-3-methyl-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: [3-(2-cyano-3-methylphenoxy)-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)oxy]ethyl]-dimethylammonium IUPAC Name: [3-(2-cyano-3-methylphenoxy)-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)oxyethyl]-dimethylazanium Traditional Name: [3-(2-cyano-3-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=C(C(=CC=C1)OCC(C[N+](C)(C)CCOC2=NN=C(C=C2)NN)O)C#N

Isomeric SMILES

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

InChI

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