azanyl-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl]-(ethylamino)-pyridazin-3-ylcarbonyl-azanium

Systemtic Name: azanyl-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl]-(ethylamino)-pyridazin-3-ylcarbonyl-azanium Openeye Name: amino-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl]-(ethylamino)-(pyridazine-3-carbonyl)ammonium CAS Name: amino-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl]-(ethylamino)-[oxo(3-pyridazinyl)methyl]ammonium IUPAC Name: amino-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl]-(ethylamino)-(pyridazine-3-carbonyl)azanium Traditional Name: amino-[5-bromo-2-(2-methylallyloxy)benzyl]-(ethylamino)-(pyridazine-3-carbonyl)ammonium Formula: C18H23BrN5O2+ MolecularWeight: 421.31152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN5O2/c1-4-22-24(20,18(25)16-6-5-9-21-23-16)11-14-10-15(19)7-8-17(14)26-12-13(2)3/h5-10,22H,2,4,11-12,20H2,1,3H3/q+1