1,5-bis(oxidanyl)pentan-3-yl-(phenylmethyl)azanium chloride

Systemtic Name: 1,5-bis(oxidanyl)pentan-3-yl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-hydroxy-1-(2-hydroxyethyl)propyl]ammonium chloride CAS Name: 1,5-dihydroxypentan-3-yl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl(1,5-dihydroxypentan-3-yl)azanium chloride Traditional Name: benzyl-[3-hydroxy-1-(2-hydroxyethyl)propyl]ammonium chloride Formula: C12H20ClNO2 MolecularWeight: 245.7457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CCO)CCO.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C(CCO)CCO.[Cl-]

InChI

InChI=1S/C12H19NO2.ClH/c14-8-6-12(7-9-15)13-10-11-4-2-1-3-5-11;/h1-5,12-15H,6-10H2;1H