1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-1-methyl-piperidin-1-ium iodide

Systemtic Name: 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-1-methyl-piperidin-1-ium iodide Openeye Name: 1-(1,3-dihydrobenzo[e]isobenzofuran-4-ylmethyl)-1-methyl-piperidin-1-ium iodide CAS Name: 1-(1,3-dihydrobenzo[e]isobenzofuran-4-ylmethyl)-1-methylpiperidin-1-ium iodide IUPAC Name: 1-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-1-methylpiperidin-1-ium iodide Traditional Name: 1-(1,3-dihydrobenz[e]isobenzofuran-4-ylmethyl)-1-methyl-piperidin-1-ium iodide Formula: C19H24INO MolecularWeight: 409.30443

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2=CC3=CC=CC=C3C4=C2COC4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC2=CC3=CC=CC=C3C4=C2COC4.[I-]

InChI

InChI=1S/C19H24NO.HI/c1-20(9-5-2-6-10-20)12-16-11-15-7-3-4-8-17(15)19-14-21-13-18(16)19;/h3-4,7-8,11H,2,5-6,9-10,12-14H2,1H3;1H/q+1;/p-1