[2-methyl-3-[3-(nonanoylamino)propyl]pentadecan-2-yl]azanium chloride

Systemtic Name: [2-methyl-3-[3-(nonanoylamino)propyl]pentadecan-2-yl]azanium chloride Openeye Name: [1,1-dimethyl-2-[3-(nonanoylamino)propyl]tetradecyl]ammonium chloride CAS Name: [2-methyl-3-[3-(1-oxononylamino)propyl]pentadecan-2-yl]ammonium chloride IUPAC Name: [2-methyl-3-[3-(nonanoylamino)propyl]pentadecan-2-yl]azanium chloride Traditional Name: [1,1-dimethyl-2-[3-(pelargonylamino)propyl]tetradecyl]ammonium chloride Formula: C28H59ClN2O MolecularWeight: 475.23386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCNC(=O)CCCCCCCC)C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCNC(=O)CCCCCCCC)C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C28H58N2O.ClH/c1-5-7-9-11-13-14-15-16-17-19-22-26(28(3,4)29)23-21-25-30-27(31)24-20-18-12-10-8-6-2;/h26H,5-25,29H2,1-4H3,(H,30,31);1H