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

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-triethyl-azanium benzoate hydrochloride Openeye Name: (3-chloro-2-hydroxy-propyl)-triethyl-ammonium benzoate hydrochloride CAS Name: (3-chloro-2-hydroxypropyl)-triethylammonium benzoate hydrochloride IUPAC Name: (3-chloro-2-hydroxypropyl)-triethylazanium benzoate hydrochloride Traditional Name: (3-chloro-2-hydroxy-propyl)-triethyl-ammonium benzoate hydrochloride Formula: C16H27Cl2NO3 MolecularWeight: 352.29648

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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-1