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

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-trimethyl-azanium benzoate chloride Openeye Name: (3-chloro-2-hydroxy-propyl)-trimethyl-ammonium benzoate chloride CAS Name: (3-chloro-2-hydroxypropyl)-trimethylammonium benzoate chloride IUPAC Name: (3-chloro-2-hydroxypropyl)-trimethylazanium benzoate chloride Traditional Name: (3-chloro-2-hydroxy-propyl)-trimethyl-ammonium benzoate chloride Formula: C13H20Cl2NO3- MolecularWeight: 309.2088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C6H15ClNO.ClH/c8-7(9)6-4-2-1-3-5-6;1-8(2,3)5-6(9)4-7;/h1-5H,(H,8,9);6,9H,4-5H2,1-3H3;1H/q;+1;/p-2