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

Systemtic Name: [2-methyl-3-[3-(octanoylamino)propyl]undecan-2-yl]azanium iodide Openeye Name: [1,1-dimethyl-2-[3-(octanoylamino)propyl]decyl]ammonium iodide CAS Name: [2-methyl-3-[3-(1-oxooctylamino)propyl]undecan-2-yl]ammonium iodide IUPAC Name: [2-methyl-3-[3-(octanoylamino)propyl]undecan-2-yl]azanium iodide Traditional Name: [2-[3-(caprylylamino)propyl]-1,1-dimethyl-decyl]ammonium iodide Formula: C23H49IN2O MolecularWeight: 496.55243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H48N2O.HI/c1-5-7-9-11-13-14-17-21(23(3,4)24)18-16-20-25-22(26)19-15-12-10-8-6-2;/h21H,5-20,24H2,1-4H3,(H,25,26);1H