3-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-(2-chloro-6-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=CC=C2Cl)F)OC

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)OC

InChI

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