[2-methyl-3-[3-(octanoylamino)propyl]tridecan-2-yl]azanium iodide

Systemtic Name: [2-methyl-3-[3-(octanoylamino)propyl]tridecan-2-yl]azanium iodide Openeye Name: [1,1-dimethyl-2-[3-(octanoylamino)propyl]dodecyl]ammonium iodide CAS Name: [2-methyl-3-[3-(1-oxooctylamino)propyl]tridecan-2-yl]ammonium iodide IUPAC Name: [2-methyl-3-[3-(octanoylamino)propyl]tridecan-2-yl]azanium iodide Traditional Name: [2-[3-(caprylylamino)propyl]-1,1-dimethyl-dodecyl]ammonium iodide Formula: C25H53IN2O MolecularWeight: 524.60559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCNC(=O)CCCCCCC)C(C)(C)[NH3+].[I-]

Isomeric SMILES

CCCCCCCCCCC(CCCNC(=O)CCCCCCC)C(C)(C)[NH3+].[I-]

InChI

InChI=1S/C25H52N2O.HI/c1-5-7-9-11-12-13-15-16-19-23(25(3,4)26)20-18-22-27-24(28)21-17-14-10-8-6-2;/h23H,5-22,26H2,1-4H3,(H,27,28);1H