3-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[2-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C22H32ClFN2O2+2 MolecularWeight: 410.953083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClFN2O2/c1-4-26(5-2)13-7-12-25-15-17-8-6-9-21(27-3)22(17)28-16-18-10-11-19(24)14-20(18)23/h6,8-11,14,25H,4-5,7,12-13,15-16H2,1-3H3/p+2