(3-chloranyl-2-oxidanyl-propyl)-triethyl-azanium benzoate chloride

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-triethyl-azanium benzoate chloride Openeye Name: (3-chloro-2-hydroxy-propyl)-triethyl-ammonium benzoate chloride CAS Name: (3-chloro-2-hydroxypropyl)-triethylammonium benzoate chloride IUPAC Name: (3-chloro-2-hydroxypropyl)-triethylazanium benzoate chloride Traditional Name: (3-chloro-2-hydroxy-propyl)-triethyl-ammonium benzoate chloride Formula: C16H26Cl2NO3- MolecularWeight: 351.28854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H21ClNO.C7H6O2.ClH/c1-4-11(5-2,6-3)8-9(12)7-10;8-7(9)6-4-2-1-3-5-6;/h9,12H,4-8H2,1-3H3;1-5H,(H,8,9);1H/q+1;;/p-2