3-[(3-bromanyl-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-dibutyl-azanium

Systemtic Name: 3-[(3-bromanyl-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[(4-benzyloxy-3-bromo-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[(3-bromo-4-phenylmethoxyphenyl)methylammonio]propyl-dibutylammonium IUPAC Name: 3-[(3-bromo-4-phenylmethoxyphenyl)methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[(4-benzoxy-3-bromo-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C25H39BrN2O+2 MolecularWeight: 463.49396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37BrN2O/c1-3-5-16-28(17-6-4-2)18-10-15-27-20-23-13-14-25(24(26)19-23)29-21-22-11-8-7-9-12-22/h7-9,11-14,19,27H,3-6,10,15-18,20-21H2,1-2H3/p+2