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

Systemtic Name: 3-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[(2-benzyloxy-5-bromo-3-methoxy-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methylammonio]propyl-dibutylammonium IUPAC Name: 3-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[(2-benzoxy-5-bromo-3-methoxy-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C26H41BrN2O2+2 MolecularWeight: 493.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

InChI

InChI=1S/C26H39BrN2O2/c1-4-6-15-29(16-7-5-2)17-11-14-28-20-23-18-24(27)19-25(30-3)26(23)31-21-22-12-9-8-10-13-22/h8-10,12-13,18-19,28H,4-7,11,14-17,20-21H2,1-3H3/p+2