2,3-bis(phenylcarbonyloxy)propyl-tripentyl-azanium chloride

Systemtic Name: 2,3-bis(phenylcarbonyloxy)propyl-tripentyl-azanium chloride Openeye Name: 2,3-dibenzoyloxypropyl(tripentyl)ammonium chloride CAS Name: 2,3-dibenzoyloxypropyl(tripentyl)ammonium chloride IUPAC Name: 2,3-dibenzoyloxypropyl(tripentyl)azanium chloride Traditional Name: triamyl(2,3-dibenzoyloxypropyl)ammonium chloride Formula: C32H48ClNO4 MolecularWeight: 546.18082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](CCCCC)(CCCCC)CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCC[N+](CCCCC)(CCCCC)CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C32H48NO4.ClH/c1-4-7-16-23-33(24-17-8-5-2,25-18-9-6-3)26-30(37-32(35)29-21-14-11-15-22-29)27-36-31(34)28-19-12-10-13-20-28;/h10-15,19-22,30H,4-9,16-18,23-27H2,1-3H3;1H/q+1;/p-1