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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN5O3/c1-14-6-4-7-16(19(14)20)28-13-15(26)12-25(2,3)10-5-11-27-18-9-8-17(22-21)23-24-18/h4,6-9,15,26H,5,10-13,21H2,1-3H3,(H,22,23)/q+1