dibutyl-[3-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl]azanium Openeye Name: 3-[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: dibutyl-[3-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl]azanium Traditional Name: 3-[(4-benzoxy-3-chloro-5-ethoxy-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C27H43ClN2O2+2 MolecularWeight: 463.09552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41ClN2O2/c1-4-7-16-30(17-8-5-2)18-12-15-29-21-24-19-25(28)27(26(20-24)31-6-3)32-22-23-13-10-9-11-14-23/h9-11,13-14,19-20,29H,4-8,12,15-18,21-22H2,1-3H3/p+2