3-(2-ethylphenyl)henicosan-3-ylazanium chloride

Systemtic Name: 3-(2-ethylphenyl)henicosan-3-ylazanium chloride Openeye Name: [1-ethyl-1-(2-ethylphenyl)nonadecyl]ammonium chloride CAS Name: 3-(2-ethylphenyl)heneicosan-3-ylammonium chloride IUPAC Name: 3-(2-ethylphenyl)henicosan-3-ylazanium chloride Traditional Name: [1-ethyl-1-(2-ethylphenyl)nonadecyl]ammonium chloride Formula: C29H54ClN MolecularWeight: 452.19876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC)(C1=CC=CC=C1CC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC)(C1=CC=CC=C1CC)[NH3+].[Cl-]

InChI

InChI=1S/C29H53N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29(30,6-3)28-25-22-21-24-27(28)5-2;/h21-22,24-25H,4-20,23,26,30H2,1-3H3;1H