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

Systemtic Name: [2-methyl-3-[3-(octanoylamino)propyl]pentadecan-2-yl]azanium chloride Openeye Name: [1,1-dimethyl-2-[3-(octanoylamino)propyl]tetradecyl]ammonium chloride CAS Name: [2-methyl-3-[3-(1-oxooctylamino)propyl]pentadecan-2-yl]ammonium chloride IUPAC Name: [2-methyl-3-[3-(octanoylamino)propyl]pentadecan-2-yl]azanium chloride Traditional Name: [2-[3-(caprylylamino)propyl]-1,1-dimethyl-tetradecyl]ammonium chloride Formula: C27H57ClN2O MolecularWeight: 461.20728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56N2O.ClH/c1-5-7-9-11-12-13-14-15-17-18-21-25(27(3,4)28)22-20-24-29-26(30)23-19-16-10-8-6-2;/h25H,5-24,28H2,1-4H3,(H,29,30);1H