4-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-(6-bromanylhexyl)pyridazin-1-ium 1-oxide

Systemtic Name: 4-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-(6-bromanylhexyl)pyridazin-1-ium 1-oxide Openeye Name: 2-(6-bromohexyl)-4-[4-(difluoromethoxy)-3-methoxy-phenyl]pyridazin-1-ium 1-oxide CAS Name: 2-(6-bromohexyl)-4-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-1-ium 1-oxide IUPAC Name: 2-(6-bromohexyl)-4-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-1-ium 1-oxide Traditional Name: 2-(6-bromohexyl)-4-[4-(difluoromethoxy)-3-methoxy-phenyl]pyridazin-1-ium 1-oxide Formula: C18H22BrF2N2O3+ MolecularWeight: 432.279686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CN([N+](=O)C=C2)CCCCCCBr)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CN([N+](=O)C=C2)CCCCCCBr)OC(F)F

InChI

InChI=1S/C18H22BrF2N2O3/c1-25-17-12-14(6-7-16(17)26-18(20)21)15-8-11-23(24)22(13-15)10-5-3-2-4-9-19/h6-8,11-13,18H,2-5,9-10H2,1H3/q+1