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

Systemtic Name: 3-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylammonio]propyl-dibutylammonium IUPAC Name: 3-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]ammonio]propyl-dibutyl-ammonium Formula: C26H40BrFN2O2+2 MolecularWeight: 511.510403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38BrFN2O2/c1-4-6-14-30(15-7-5-2)16-8-13-29-19-22-17-24(27)26(25(18-22)31-3)32-20-21-9-11-23(28)12-10-21/h9-12,17-18,29H,4-8,13-16,19-20H2,1-3H3/p+2