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

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-tripropyl-azanium benzoate chloride Openeye Name: (3-chloro-2-hydroxy-propyl)-tripropyl-ammonium benzoate chloride CAS Name: (3-chloro-2-hydroxypropyl)-tripropylammonium benzoate chloride IUPAC Name: (3-chloro-2-hydroxypropyl)-tripropylazanium benzoate chloride Traditional Name: (3-chloro-2-hydroxy-propyl)-tripropyl-ammonium benzoate chloride Formula: C19H32Cl2NO3- MolecularWeight: 393.36828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27ClNO.C7H6O2.ClH/c1-4-7-14(8-5-2,9-6-3)11-12(15)10-13;8-7(9)6-4-2-1-3-5-6;/h12,15H,4-11H2,1-3H3;1-5H,(H,8,9);1H/q+1;;/p-2