(5-bromanylfuran-2-yl)-[2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]methanone iodide

Systemtic Name: (5-bromanylfuran-2-yl)-[2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]methanone iodide Openeye Name: (5-bromo-2-furyl)-[2-(1-methylpyridin-1-ium-3-yl)-1-piperidyl]methanone iodide CAS Name: (5-bromo-2-furanyl)-[2-(1-methyl-3-pyridin-1-iumyl)-1-piperidinyl]methanone iodide IUPAC Name: (5-bromofuran-2-yl)-[2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]methanone iodide Traditional Name: (5-bromo-2-furyl)-[2-(1-methylpyridin-1-ium-3-yl)piperidino]methanone iodide Formula: C16H18BrIN2O2 MolecularWeight: 477.13479

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2CCCCN2C(=O)C3=CC=C(O3)Br.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2CCCCN2C(=O)C3=CC=C(O3)Br.[I-]

InChI

InChI=1S/C16H18BrN2O2.HI/c1-18-9-4-5-12(11-18)13-6-2-3-10-19(13)16(20)14-7-8-15(17)21-14;/h4-5,7-9,11,13H,2-3,6,10H2,1H3;1H/q+1;/p-1