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

Systemtic Name: dibutyl-[3-[(3-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl]azanium Openeye Name: 3-[(4-benzyloxy-3-ethoxy-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: dibutyl-[3-[(3-ethoxy-4-phenylmethoxyphenyl)methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[(3-ethoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl]azanium Traditional Name: 3-[(4-benzoxy-3-ethoxy-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C27H44N2O2+2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O2/c1-4-7-18-29(19-8-5-2)20-12-17-28-22-25-15-16-26(27(21-25)30-6-3)31-23-24-13-10-9-11-14-24/h9-11,13-16,21,28H,4-8,12,17-20,22-23H2,1-3H3/p+2