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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClFN2O2/c1-4-26(5-2)12-6-11-25-15-17-7-10-21(22(13-17)27-3)28-16-18-8-9-19(24)14-20(18)23/h7-10,13-14,25H,4-6,11-12,15-16H2,1-3H3/p+2