3-[[3-chloranyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[3-chloranyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-chloro-4-(2-fluorobenzyl)oxy-5-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)Cl)OCC2=CC=CC=C2F)OC

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2F)OC

InChI

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