2,3-bis(oxidanyl)propyl-triethyl-azanium dibenzoate chloride

Systemtic Name: 2,3-bis(oxidanyl)propyl-triethyl-azanium dibenzoate chloride Openeye Name: 2,3-dihydroxypropyl(triethyl)ammonium dibenzoate chloride CAS Name: 2,3-dihydroxypropyl(triethyl)ammonium dibenzoate chloride IUPAC Name: 2,3-dihydroxypropyl(triethyl)azanium dibenzoate chloride Traditional Name: triethyl(glyceryl)ammonium dibenzoate chloride Formula: C23H32ClNO6-2 MolecularWeight: 453.95628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H22NO2.2C7H6O2.ClH/c1-4-10(5-2,6-3)7-9(12)8-11;2*8-7(9)6-4-2-1-3-5-6;/h9,11-12H,4-8H2,1-3H3;2*1-5H,(H,8,9);1H/q+1;;;/p-3