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

Systemtic Name: 3-[[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-dibutylammonium IUPAC Name: 3-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-dibutyl-ammonium Formula: C28H45BrN2O2+2 MolecularWeight: 521.5731

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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)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H43BrN2O2/c1-5-8-16-31(17-9-6-2)18-10-15-30-21-25-19-26(29)28(27(20-25)32-7-3)33-22-24-13-11-23(4)12-14-24/h11-14,19-20,30H,5-10,15-18,21-22H2,1-4H3/p+2