3-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-bromo-4-(2-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=CC=C2F)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrFN2O2/c1-24(2)10-6-9-23-13-15-11-17(21)20(19(12-15)25-3)26-14-16-7-4-5-8-18(16)22/h4-5,7-8,11-12,23H,6,9-10,13-14H2,1-3H3/p+2