2-oxidanylpropyl(tripropyl)azanium benzoate chloride

Systemtic Name: 2-oxidanylpropyl(tripropyl)azanium benzoate chloride Openeye Name: 2-hydroxypropyl(tripropyl)ammonium benzoate chloride CAS Name: 2-hydroxypropyl(tripropyl)ammonium benzoate chloride IUPAC Name: 2-hydroxypropyl(tripropyl)azanium benzoate chloride Traditional Name: 2-hydroxypropyl(tripropyl)ammonium benzoate chloride Formula: C19H33ClNO3- MolecularWeight: 358.92322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H28NO.C7H6O2.ClH/c1-5-8-13(9-6-2,10-7-3)11-12(4)14;8-7(9)6-4-2-1-3-5-6;/h12,14H,5-11H2,1-4H3;1-5H,(H,8,9);1H/q+1;;/p-2