3-[[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium

Systemtic Name: 3-[[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylammonio]propyl-dibutylammonium IUPAC Name: 3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[[5-bromo-2-(2,4-dichlorobenzyl)oxy-benzyl]ammonio]propyl-dibutyl-ammonium Formula: C25H37BrCl2N2O+2 MolecularWeight: 532.38408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C25H35BrCl2N2O/c1-3-5-13-30(14-6-4-2)15-7-12-29-18-21-16-22(26)9-11-25(21)31-19-20-8-10-23(27)17-24(20)28/h8-11,16-17,29H,3-7,12-15,18-19H2,1-2H3/p+2