2-[2-(4-butoxyphenoxy)ethanoyl-(2,5-diethoxyphenyl)amino]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[2-(4-butoxyphenoxy)ethanoyl-(2,5-diethoxyphenyl)amino]ethyl-dimethyl-azanium chloride Openeye Name: 2-(N-[2-(4-butoxyphenoxy)acetyl]-2,5-diethoxy-anilino)ethyl-dimethyl-ammonium chloride CAS Name: 2-(N-[2-(4-butoxyphenoxy)-1-oxoethyl]-2,5-diethoxyanilino)ethyl-dimethylammonium chloride IUPAC Name: 2-(N-[2-(4-butoxyphenoxy)acetyl]-2,5-diethoxyanilino)ethyl-dimethylazanium chloride Traditional Name: 2-(N-[2-(4-butoxyphenoxy)acetyl]-2,5-diethoxy-anilino)ethyl-dimethyl-ammonium chloride Formula: C26H39ClN2O5 MolecularWeight: 495.05126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O5.ClH/c1-6-9-18-32-21-10-12-22(13-11-21)33-20-26(29)28(17-16-27(4)5)24-19-23(30-7-2)14-15-25(24)31-8-3;/h10-15,19H,6-9,16-18,20H2,1-5H3;1H