(1-hexanoyloxy-1-phenyl-propan-2-yl)-trimethyl-azanium iodide

Systemtic Name: (1-hexanoyloxy-1-phenyl-propan-2-yl)-trimethyl-azanium iodide Openeye Name: (2-hexanoyloxy-1-methyl-2-phenyl-ethyl)-trimethyl-ammonium iodide CAS Name: trimethyl-[1-(1-oxohexoxy)-1-phenylpropan-2-yl]ammonium iodide IUPAC Name: (1-hexanoyloxy-1-phenylpropan-2-yl)-trimethylazanium iodide Traditional Name: (2-caproyloxy-1-methyl-2-phenyl-ethyl)-trimethyl-ammonium iodide Formula: C18H30INO2 MolecularWeight: 419.34077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C1=CC=CC=C1)C(C)[N+](C)(C)C.[I-]

Isomeric SMILES

CCCCCC(=O)OC(C1=CC=CC=C1)C(C)[N+](C)(C)C.[I-]

InChI

InChI=1S/C18H30NO2.HI/c1-6-7-9-14-17(20)21-18(15(2)19(3,4)5)16-12-10-8-11-13-16;/h8,10-13,15,18H,6-7,9,14H2,1-5H3;1H/q+1;/p-1