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

Systemtic Name: 3-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C23H33BrCl2N2O2+2 MolecularWeight: 520.33032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrCl2N2O2/c1-4-28(5-2)11-7-10-27-15-17-12-20(24)23(22(13-17)29-6-3)30-16-18-8-9-19(25)14-21(18)26/h8-9,12-14,27H,4-7,10-11,15-16H2,1-3H3/p+2