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

Systemtic Name: 2,3-bis(oxidanyl)propyl-trimethyl-azanium dibenzoate chloride Openeye Name: 2,3-dihydroxypropyl(trimethyl)ammonium dibenzoate chloride CAS Name: 2,3-dihydroxypropyl(trimethyl)ammonium dibenzoate chloride IUPAC Name: 2,3-dihydroxypropyl(trimethyl)azanium dibenzoate chloride Traditional Name: glyceryl(trimethyl)ammonium dibenzoate chloride Formula: C20H26ClNO6-2 MolecularWeight: 411.87654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H6O2.C6H16NO2.ClH/c2*8-7(9)6-4-2-1-3-5-6;1-7(2,3)4-6(9)5-8;/h2*1-5H,(H,8,9);6,8-9H,4-5H2,1-3H3;1H/q;;+1;/p-3