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

Systemtic Name: 3-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-dibutylammonium IUPAC Name: 3-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-dibutyl-ammonium Formula: C27H43BrN2O2+2 MolecularWeight: 507.54652

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H41BrN2O2/c1-5-7-15-30(16-8-6-2)17-9-14-29-20-24-18-25(28)27(26(19-24)31-4)32-21-23-12-10-22(3)11-13-23/h10-13,18-19,29H,5-9,14-17,20-21H2,1-4H3/p+2