sodium 2-(2-hexadecylphenyl)propan-2-ylazanium chloride

Systemtic Name: sodium 2-(2-hexadecylphenyl)propan-2-ylazanium chloride Openeye Name: sodium [1-(2-hexadecylphenyl)-1-methyl-ethyl]ammonium chloride CAS Name: sodium 2-(2-hexadecylphenyl)propan-2-ylammonium chloride IUPAC Name: sodium 2-(2-hexadecylphenyl)propan-2-ylazanium chloride Traditional Name: sodium [1-(2-cetylphenyl)-1-methyl-ethyl]ammonium chloride Formula: C25H46ClNNa+ MolecularWeight: 419.08221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[Na+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[Na+].[Cl-]

InChI

InChI=1S/C25H45N.ClH.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25(2,3)26;;/h18-19,21-22H,4-17,20,26H2,1-3H3;1H;/q;;+1