3-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C20H28BrFN2O2+2 MolecularWeight: 427.350923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrFN2O2/c1-24(2)10-4-9-23-13-16-11-18(21)20(19(12-16)25-3)26-14-15-5-7-17(22)8-6-15/h5-8,11-12,23H,4,9-10,13-14H2,1-3H3/p+2