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

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylammonio]propyl-dibutylammonium IUPAC Name: 3-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[(4-benzoxy-3-bromo-5-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(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H39BrN2O2/c1-4-6-15-29(16-7-5-2)17-11-14-28-20-23-18-24(27)26(25(19-23)30-3)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