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

Systemtic Name: 3-[[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C23H34BrFN2O2+2 MolecularWeight: 469.430663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32BrFN2O2/c1-4-27(5-2)13-7-12-26-16-19-14-21(24)23(22(15-19)28-6-3)29-17-18-8-10-20(25)11-9-18/h8-11,14-15,26H,4-7,12-13,16-17H2,1-3H3/p+2