ethyl (3S)-1-methyl-1-(phenylmethyl)piperidin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl (3S)-1-methyl-1-(phenylmethyl)piperidin-1-ium-3-carboxylate iodide Openeye Name: ethyl (3S)-1-benzyl-1-methyl-piperidin-1-ium-3-carboxylate iodide CAS Name: (3S)-1-methyl-1-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl (3S)-1-benzyl-1-methylpiperidin-1-ium-3-carboxylate iodide Traditional Name: (3S)-1-benzyl-1-methyl-piperidin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C16H24INO2 MolecularWeight: 389.27173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+](C1)(C)CC2=CC=CC=C2.[I-]

Isomeric SMILES

CCOC(=O)[C@H]1CCC[N+](C1)(C)CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C16H24NO2.HI/c1-3-19-16(18)15-10-7-11-17(2,13-15)12-14-8-5-4-6-9-14;/h4-6,8-9,15H,3,7,10-13H2,1-2H3;1H/q+1;/p-1/t15-,17?;/m0./s1