2-[2-(4-butoxyphenoxy)ethanoyl-(3-ethoxyphenyl)amino]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[2-(4-butoxyphenoxy)ethanoyl-(3-ethoxyphenyl)amino]ethyl-diethyl-azanium chloride Openeye Name: 2-(N-[2-(4-butoxyphenoxy)acetyl]-3-ethoxy-anilino)ethyl-diethyl-ammonium chloride CAS Name: 2-(N-[2-(4-butoxyphenoxy)-1-oxoethyl]-3-ethoxyanilino)ethyl-diethylammonium chloride IUPAC Name: 2-(N-[2-(4-butoxyphenoxy)acetyl]-3-ethoxyanilino)ethyl-diethylazanium chloride Traditional Name: 2-(N-[2-(4-butoxyphenoxy)acetyl]-3-ethoxy-anilino)ethyl-diethyl-ammonium chloride Formula: C26H39ClN2O4 MolecularWeight: 479.05186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC(=O)N(CC[NH+](CC)CC)C2=CC(=CC=C2)OCC.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC(=O)N(CC[NH+](CC)CC)C2=CC(=CC=C2)OCC.[Cl-]

InChI

InChI=1S/C26H38N2O4.ClH/c1-5-9-19-31-23-13-15-24(16-14-23)32-21-26(29)28(18-17-27(6-2)7-3)22-11-10-12-25(20-22)30-8-4;/h10-16,20H,5-9,17-19,21H2,1-4H3;1H