2-(2-ethylhexanoyloxy)ethyl-bis[(2-methylphenyl)methyl]azanium chloride

Systemtic Name: 2-(2-ethylhexanoyloxy)ethyl-bis[(2-methylphenyl)methyl]azanium chloride Openeye Name: 2-(2-ethylhexanoyloxy)ethyl-bis(o-tolylmethyl)ammonium chloride CAS Name: 2-(2-ethyl-1-oxohexoxy)ethyl-bis[(2-methylphenyl)methyl]ammonium chloride IUPAC Name: 2-(2-ethylhexanoyloxy)ethyl-bis[(2-methylphenyl)methyl]azanium chloride Traditional Name: 2-(2-ethylhexanoyloxy)ethyl-bis(2-methylbenzyl)ammonium chloride Formula: C26H38ClNO2 MolecularWeight: 432.03842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCC[NH+](CC1=CC=CC=C1C)CC2=CC=CC=C2C.[Cl-]

Isomeric SMILES

CCCCC(CC)C(=O)OCC[NH+](CC1=CC=CC=C1C)CC2=CC=CC=C2C.[Cl-]

InChI

InChI=1S/C26H37NO2.ClH/c1-5-7-14-23(6-2)26(28)29-18-17-27(19-24-15-10-8-12-21(24)3)20-25-16-11-9-13-22(25)4;/h8-13,15-16,23H,5-7,14,17-20H2,1-4H3;1H