2-[4-[2-(4-butoxyphenyl)carbonyliminoethyl]phenyl]carbonyloxyethyl-trimethyl-azanium chloride

Systemtic Name: 2-[4-[2-(4-butoxyphenyl)carbonyliminoethyl]phenyl]carbonyloxyethyl-trimethyl-azanium chloride Openeye Name: 2-[4-[2-(4-butoxybenzoyl)iminoethyl]benzoyl]oxyethyl-trimethyl-ammonium chloride CAS Name: 2-[[4-[2-[(4-butoxyphenyl)-oxomethyl]iminoethyl]phenyl]-oxomethoxy]ethyl-trimethylammonium chloride IUPAC Name: 2-[4-[2-(4-butoxybenzoyl)iminoethyl]benzoyl]oxyethyl-trimethylazanium chloride Traditional Name: 2-[4-[2-(4-butoxybenzoyl)iminoethyl]benzoyl]oxyethyl-trimethyl-ammonium chloride Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=CCC2=CC=C(C=C2)C(=O)OCC[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=CCC2=CC=C(C=C2)C(=O)OCC[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C25H33N2O4.ClH/c1-5-6-18-30-23-13-11-21(12-14-23)24(28)26-16-15-20-7-9-22(10-8-20)25(29)31-19-17-27(2,3)4;/h7-14,16H,5-6,15,17-19H2,1-4H3;1H/q+1;/p-1