3-[[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium

Systemtic Name: 3-[[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylammonio]propyl-dibutylammonium IUPAC Name: 3-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[[5-bromo-2-(2-fluorobenzyl)oxy-benzyl]ammonio]propyl-dibutyl-ammonium Formula: C25H38BrFN2O+2 MolecularWeight: 481.484423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2F

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2F

InChI

InChI=1S/C25H36BrFN2O/c1-3-5-15-29(16-6-4-2)17-9-14-28-19-22-18-23(26)12-13-25(22)30-20-21-10-7-8-11-24(21)27/h7-8,10-13,18,28H,3-6,9,14-17,19-20H2,1-2H3/p+2