cyclohexyl 2-(1-aminocarbonylpyridin-1-ium-2-yl)butanoate iodide

Systemtic Name: cyclohexyl 2-(1-aminocarbonylpyridin-1-ium-2-yl)butanoate iodide Openeye Name: cyclohexyl 2-(1-carbamoylpyridin-1-ium-2-yl)butanoate iodide CAS Name: 2-(1-carbamoyl-2-pyridin-1-iumyl)butanoic acid cyclohexyl ester iodide IUPAC Name: cyclohexyl 2-(1-carbamoylpyridin-1-ium-2-yl)butanoate iodide Traditional Name: 2-(1-carbamoylpyridin-1-ium-2-yl)butyric acid cyclohexyl ester iodide Formula: C16H23IN2O3 MolecularWeight: 418.26989

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=[N+]1C(=O)N)C(=O)OC2CCCCC2.[I-]

Isomeric SMILES

CCC(C1=CC=CC=[N+]1C(=O)N)C(=O)OC2CCCCC2.[I-]

InChI

InChI=1S/C16H22N2O3.HI/c1-2-13(14-10-6-7-11-18(14)16(17)20)15(19)21-12-8-4-3-5-9-12;/h6-7,10-13H,2-5,8-9H2,1H3,(H-,17,20);1H