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

Systemtic Name: [3-[3-(heptanoylamino)propyl]-2-methyl-pentadecan-2-yl]azanium chloride Openeye Name: [2-[3-(heptanoylamino)propyl]-1,1-dimethyl-tetradecyl]ammonium chloride CAS Name: [2-methyl-3-[3-(1-oxoheptylamino)propyl]pentadecan-2-yl]ammonium chloride IUPAC Name: [3-[3-(heptanoylamino)propyl]-2-methylpentadecan-2-yl]azanium chloride Traditional Name: [2-[3-(enanthylamino)propyl]-1,1-dimethyl-tetradecyl]ammonium chloride Formula: C26H55ClN2O MolecularWeight: 447.1807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54N2O.ClH/c1-5-7-9-11-12-13-14-15-16-17-20-24(26(3,4)27)21-19-23-28-25(29)22-18-10-8-6-2;/h24H,5-23,27H2,1-4H3,(H,28,29);1H