phenylcarbonyloxymethyl-tris(2-propoxyethyl)azanium chloride

Systemtic Name: phenylcarbonyloxymethyl-tris(2-propoxyethyl)azanium chloride Openeye Name: benzoyloxymethyl-tris(2-propoxyethyl)ammonium chloride CAS Name: benzoyloxymethyl-tris(2-propoxyethyl)ammonium chloride IUPAC Name: benzoyloxymethyl-tris(2-propoxyethyl)azanium chloride Traditional Name: benzoyloxymethyl-tris(2-propoxyethyl)ammonium chloride Formula: C23H40ClNO5 MolecularWeight: 446.0204

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC[N+](CCOCCC)(CCOCCC)COC(=O)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCOCC[N+](CCOCCC)(CCOCCC)COC(=O)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C23H40NO5.ClH/c1-4-15-26-18-12-24(13-19-27-16-5-2,14-20-28-17-6-3)21-29-23(25)22-10-8-7-9-11-22;/h7-11H,4-6,12-21H2,1-3H3;1H/q+1;/p-1