ethyl-phenethyl-[4-(3,4,5-trimethoxyphenyl)carbonyloxyhexyl]azanium chloride

Systemtic Name: ethyl-phenethyl-[4-(3,4,5-trimethoxyphenyl)carbonyloxyhexyl]azanium chloride Openeye Name: ethyl-phenethyl-[4-(3,4,5-trimethoxybenzoyl)oxyhexyl]ammonium chloride CAS Name: ethyl-[4-[oxo-(3,4,5-trimethoxyphenyl)methoxy]hexyl]-phenethylammonium chloride IUPAC Name: ethyl-phenethyl-[4-(3,4,5-trimethoxybenzoyl)oxyhexyl]azanium chloride Traditional Name: ethyl-phenethyl-[4-(3,4,5-trimethoxybenzoyl)oxyhexyl]ammonium chloride Formula: C26H38ClNO5 MolecularWeight: 480.03662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC[NH+](CC)CCC1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

Isomeric SMILES

CCC(CCC[NH+](CC)CCC1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

InChI

InChI=1S/C26H37NO5.ClH/c1-6-22(14-11-16-27(7-2)17-15-20-12-9-8-10-13-20)32-26(28)21-18-23(29-3)25(31-5)24(19-21)30-4;/h8-10,12-13,18-19,22H,6-7,11,14-17H2,1-5H3;1H