2-ethylhexyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium chloride

Systemtic Name: 2-ethylhexyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium chloride Openeye Name: 2-ethylhexyl-(2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium chloride CAS Name: 2-ethylhexyl-(1-hydroxy-1-phenylpropan-2-yl)ammonium chloride IUPAC Name: 2-ethylhexyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride Traditional Name: 2-ethylhexyl-(2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium chloride Formula: C17H30ClNO MolecularWeight: 299.8792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO.ClH/c1-4-6-10-15(5-2)13-18-14(3)17(19)16-11-8-7-9-12-16;/h7-9,11-12,14-15,17-19H,4-6,10,13H2,1-3H3;1H