methyl 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate iodide

Systemtic Name: methyl 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate iodide Openeye Name: methyl 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate iodide CAS Name: 5-[(1-methyl-1-piperidin-1-iumyl)methyl]-2-furancarboxylic acid methyl ester iodide IUPAC Name: methyl 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate iodide Traditional Name: 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester iodide Formula: C13H20INO3 MolecularWeight: 365.20727

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2=CC=C(O2)C(=O)OC.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC2=CC=C(O2)C(=O)OC.[I-]

InChI

InChI=1S/C13H20NO3.HI/c1-14(8-4-3-5-9-14)10-11-6-7-12(17-11)13(15)16-2;/h6-7H,3-5,8-10H2,1-2H3;1H/q+1;/p-1