2-(1-benzofuran-4-yl)-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-piperidin-1-ium-4-yl]ethanamide iodide

Systemtic Name: 2-(1-benzofuran-4-yl)-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-piperidin-1-ium-4-yl]ethanamide iodide Openeye Name: 2-(benzofuran-4-yl)-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-piperidin-1-ium-4-yl]acetamide iodide CAS Name: 2-(4-benzofuranyl)-N-[1-[[(1E)-1-cyclooctenyl]methyl]-1-ethyl-4-piperidin-1-iumyl]acetamide iodide IUPAC Name: 2-(1-benzofuran-4-yl)-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]acetamide iodide Traditional Name: 2-(benzofuran-4-yl)-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-piperidin-1-ium-4-yl]acetamide iodide Formula: C26H37IN2O2 MolecularWeight: 536.48865

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)NC(=O)CC2=C3C=COC3=CC=C2)CC4=CCCCCCC4.[I-]

Isomeric SMILES

CC[N+]1(CCC(CC1)NC(=O)CC2=C3C=COC3=CC=C2)C/C/4=C/CCCCCC4.[I-]

InChI

InChI=1S/C26H36N2O2.HI/c1-2-28(20-21-9-6-4-3-5-7-10-21)16-13-23(14-17-28)27-26(29)19-22-11-8-12-25-24(22)15-18-30-25;/h8-9,11-12,15,18,23H,2-7,10,13-14,16-17,19-20H2,1H3;1H/b21-9+;