trimethyl-[3-[4-(4-methylphenyl)carbonylphenoxy]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: trimethyl-[3-[4-(4-methylphenyl)carbonylphenoxy]-2-oxidanyl-propyl]azanium chloride Openeye Name: [2-hydroxy-3-[4-(4-methylbenzoyl)phenoxy]propyl]-trimethyl-ammonium chloride CAS Name: [2-hydroxy-3-[4-[(4-methylphenyl)-oxomethyl]phenoxy]propyl]-trimethylammonium chloride IUPAC Name: [2-hydroxy-3-[4-(4-methylbenzoyl)phenoxy]propyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-(4-p-toluoylphenoxy)propyl]-trimethyl-ammonium chloride Formula: C20H26ClNO3 MolecularWeight: 363.87834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C20H26NO3.ClH/c1-15-5-7-16(8-6-15)20(23)17-9-11-19(12-10-17)24-14-18(22)13-21(2,3)4;/h5-12,18,22H,13-14H2,1-4H3;1H/q+1;/p-1