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

Systemtic Name: 3-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylammonio]propyl-dibutylammonium IUPAC Name: 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[(3-bromo-5-ethoxy-4-methoxy-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C21H39BrN2O2+2 MolecularWeight: 431.45056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37BrN2O2/c1-5-8-12-24(13-9-6-2)14-10-11-23-17-18-15-19(22)21(25-4)20(16-18)26-7-3/h15-16,23H,5-14,17H2,1-4H3/p+2