1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methyl-piperidin-1-ium iodide

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methyl-piperidin-1-ium iodide Openeye Name: 1-(2,3-dihydrobenzofuran-2-ylmethyl)-1-methyl-piperidin-1-ium iodide CAS Name: 1-(2,3-dihydrobenzofuran-2-ylmethyl)-1-methylpiperidin-1-ium iodide IUPAC Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylpiperidin-1-ium iodide Traditional Name: 1-(coumaran-2-ylmethyl)-1-methyl-piperidin-1-ium iodide Formula: C15H22INO MolecularWeight: 359.24575

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2CC3=CC=CC=C3O2.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC2CC3=CC=CC=C3O2.[I-]

InChI

InChI=1S/C15H22NO.HI/c1-16(9-5-2-6-10-16)12-14-11-13-7-3-4-8-15(13)17-14;/h3-4,7-8,14H,2,5-6,9-12H2,1H3;1H/q+1;/p-1