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

Systemtic Name: [3-(2-bromanyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-[2-(6-diazanylpyridazin-3-yl)oxyethyl]-dimethyl-azanium Openeye Name: [3-(2-bromo-5-methyl-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium CAS Name: [3-(2-bromo-5-methylphenoxy)-2-hydroxypropyl]-[2-[(6-hydrazinyl-3-pyridazinyl)oxy]ethyl]-dimethylammonium IUPAC Name: [3-(2-bromo-5-methylphenoxy)-2-hydroxypropyl]-[2-(6-hydrazinylpyridazin-3-yl)oxyethyl]-dimethylazanium Traditional Name: [3-(2-bromo-5-methyl-phenoxy)-2-hydroxy-propyl]-[2-(6-hydrazinopyridazin-3-yl)oxyethyl]-dimethyl-ammonium Formula: C18H27BrN5O3+ MolecularWeight: 441.34268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN5O3/c1-13-4-5-15(19)16(10-13)27-12-14(25)11-24(2,3)8-9-26-18-7-6-17(21-20)22-23-18/h4-7,10,14,25H,8-9,11-12,20H2,1-3H3,(H,21,22)/q+1