2-(2-heptadecanoylphenyl)propan-2-ylazanium chloride

Systemtic Name: 2-(2-heptadecanoylphenyl)propan-2-ylazanium chloride Openeye Name: [1-(2-heptadecanoylphenyl)-1-methyl-ethyl]ammonium chloride CAS Name: 2-[2-(1-oxoheptadecyl)phenyl]propan-2-ylammonium chloride IUPAC Name: 2-(2-heptadecanoylphenyl)propan-2-ylazanium chloride Traditional Name: [1-(2-heptadecanoylphenyl)-1-methyl-ethyl]ammonium chloride Formula: C26H46ClNO MolecularWeight: 424.10254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C26H45NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25(28)23-20-18-19-21-24(23)26(2,3)27;/h18-21H,4-17,22,27H2,1-3H3;1H