[2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] ethanoate iodide

Systemtic Name: [2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] ethanoate iodide Openeye Name: [2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] acetate iodide CAS Name: acetic acid [2-(1-methyl-1-azepan-1-iumyl)-1-phenylethyl] ester iodide IUPAC Name: [2-(1-methylazepan-1-ium-1-yl)-1-phenylethyl] acetate iodide Traditional Name: acetic acid [2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] ester iodide Formula: C17H26INO2 MolecularWeight: 403.29831

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[N+]1(CCCCCC1)C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC(=O)OC(C[N+]1(CCCCCC1)C)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C17H26NO2.HI/c1-15(19)20-17(16-10-6-5-7-11-16)14-18(2)12-8-3-4-9-13-18;/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3;1H/q+1;/p-1