(3-chloranyl-2-oxidanyl-propyl)-tripentyl-azanium chloride ethanoate

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-tripentyl-azanium chloride ethanoate Openeye Name: (3-chloro-2-hydroxy-propyl)-tripentyl-ammonium acetate chloride CAS Name: (3-chloro-2-hydroxypropyl)-tripentylammonium acetate chloride IUPAC Name: (3-chloro-2-hydroxypropyl)-tripentylazanium acetate chloride Traditional Name: triamyl-(3-chloro-2-hydroxy-propyl)ammonium acetate chloride Formula: C20H42Cl2NO3- MolecularWeight: 415.45838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H39ClNO.C2H4O2.ClH/c1-4-7-10-13-20(14-11-8-5-2,15-12-9-6-3)17-18(21)16-19;1-2(3)4;/h18,21H,4-17H2,1-3H3;1H3,(H,3,4);1H/q+1;;/p-2