9-methylheptadecan-9-yl-[1-(2-phenylethanoyloxy)propyl]azanium chloride

Systemtic Name: 9-methylheptadecan-9-yl-[1-(2-phenylethanoyloxy)propyl]azanium chloride Openeye Name: (1-methyl-1-octyl-nonyl)-[1-(2-phenylacetyl)oxypropyl]ammonium chloride CAS Name: 9-methylheptadecan-9-yl-[1-(1-oxo-2-phenylethoxy)propyl]ammonium chloride IUPAC Name: 9-methylheptadecan-9-yl-[1-(2-phenylacetyl)oxypropyl]azanium chloride Traditional Name: (1-methyl-1-octyl-nonyl)-[1-(2-phenylacetyl)oxypropyl]ammonium chloride Formula: C29H52ClNO2 MolecularWeight: 482.18168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(CCCCCCCC)[NH2+]C(CC)OC(=O)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCC(C)(CCCCCCCC)[NH2+]C(CC)OC(=O)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C29H51NO2.ClH/c1-5-8-10-12-14-19-23-29(4,24-20-15-13-11-9-6-2)30-27(7-3)32-28(31)25-26-21-17-16-18-22-26;/h16-18,21-22,27,30H,5-15,19-20,23-25H2,1-4H3;1H