trimethyl-[[(1S,3R,4R)-3-methyl-4-(phenylcarbonyloxy)cyclopentyl]methyl]azanium iodide

Systemtic Name: trimethyl-[[(1S,3R,4R)-3-methyl-4-(phenylcarbonyloxy)cyclopentyl]methyl]azanium iodide Openeye Name: [(1S,3R,4R)-3-benzoyloxy-4-methyl-cyclopentyl]methyl-trimethyl-ammonium iodide CAS Name: [(1S,3R,4R)-3-benzoyloxy-4-methylcyclopentyl]methyl-trimethylammonium iodide IUPAC Name: [(1S,3R,4R)-3-benzoyloxy-4-methylcyclopentyl]methyl-trimethylazanium iodide Traditional Name: [(1S,3R,4R)-3-benzoyloxy-4-methyl-cyclopentyl]methyl-trimethyl-ammonium iodide Formula: C17H26INO2 MolecularWeight: 403.29831

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC1OC(=O)C2=CC=CC=C2)C[N+](C)(C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C17H26NO2.HI/c1-13-10-14(12-18(2,3)4)11-16(13)20-17(19)15-8-6-5-7-9-15;/h5-9,13-14,16H,10-12H2,1-4H3;1H/q+1;/p-1/t13-,14+,16-;/m1./s1