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

Systemtic Name: 3-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-(2-chloro-6-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=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)OC

Isomeric SMILES

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

InChI

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