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

Systemtic Name: 3-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C20H28ClFN2O2+2 MolecularWeight: 382.899923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClFN2O2/c1-24(2)11-5-10-23-13-15-6-4-7-19(25-3)20(15)26-14-16-8-9-17(22)12-18(16)21/h4,6-9,12,23H,5,10-11,13-14H2,1-3H3/p+2