[3-[(2-butylphenyl)methyl]-1-ethoxy-1-oxidanylidene-heptan-3-yl]azanium chloride

Systemtic Name: [3-[(2-butylphenyl)methyl]-1-ethoxy-1-oxidanylidene-heptan-3-yl]azanium chloride Openeye Name: [1-[(2-butylphenyl)methyl]-1-(2-ethoxy-2-oxo-ethyl)pentyl]ammonium chloride CAS Name: [3-[(2-butylphenyl)methyl]-1-ethoxy-1-oxoheptan-3-yl]ammonium chloride IUPAC Name: [3-[(2-butylphenyl)methyl]-1-ethoxy-1-oxoheptan-3-yl]azanium chloride Traditional Name: [1-(2-butylbenzyl)-1-(2-ethoxy-2-keto-ethyl)pentyl]ammonium chloride Formula: C20H34ClNO2 MolecularWeight: 355.94246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1CC(CCCC)(CC(=O)OCC)[NH3+].[Cl-]

Isomeric SMILES

CCCCC1=CC=CC=C1CC(CCCC)(CC(=O)OCC)[NH3+].[Cl-]

InChI

InChI=1S/C20H33NO2.ClH/c1-4-7-11-17-12-9-10-13-18(17)15-20(21,14-8-5-2)16-19(22)23-6-3;/h9-10,12-13H,4-8,11,14-16,21H2,1-3H3;1H