3-[[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium

Systemtic Name: 3-[[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[[5-bromo-2-(p-tolylmethoxy)phenyl]methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-dibutylammonium IUPAC Name: 3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[[5-bromo-2-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-dibutyl-ammonium Formula: C26H41BrN2O+2 MolecularWeight: 477.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39BrN2O/c1-4-6-16-29(17-7-5-2)18-8-15-28-20-24-19-25(27)13-14-26(24)30-21-23-11-9-22(3)10-12-23/h9-14,19,28H,4-8,15-18,20-21H2,1-3H3/p+2