trimethyl-[2-oxidanyl-3-[4-(phenylcarbonyl)phenoxy]propyl]azanium chloride hydrate

Systemtic Name: trimethyl-[2-oxidanyl-3-[4-(phenylcarbonyl)phenoxy]propyl]azanium chloride hydrate Openeye Name: [3-(4-benzoylphenoxy)-2-hydroxy-propyl]-trimethyl-ammonium chloride hydrate CAS Name: [3-(4-benzoylphenoxy)-2-hydroxypropyl]-trimethylammonium chloride hydrate IUPAC Name: [3-(4-benzoylphenoxy)-2-hydroxypropyl]-trimethylazanium chloride hydrate Traditional Name: [3-(4-benzoylphenoxy)-2-hydroxy-propyl]-trimethyl-ammonium chloride hydrate Formula: C19H26ClNO4 MolecularWeight: 367.86704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.O.[Cl-]

InChI

InChI=1S/C19H24NO3.ClH.H2O/c1-20(2,3)13-17(21)14-23-18-11-9-16(10-12-18)19(22)15-7-5-4-6-8-15;;/h4-12,17,21H,13-14H2,1-3H3;1H;1H2/q+1;;/p-1