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

Systemtic Name: dibutyl-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-methyl-azanium iodide Openeye Name: dibutyl-(1,3-dihydrobenzo[e]isobenzofuran-4-ylmethyl)-methyl-ammonium iodide CAS Name: dibutyl-(1,3-dihydrobenzo[e]isobenzofuran-4-ylmethyl)-methylammonium iodide IUPAC Name: dibutyl-(1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl)-methylazanium iodide Traditional Name: dibutyl-(1,3-dihydrobenz[e]isobenzofuran-4-ylmethyl)-methyl-ammonium iodide Formula: C22H32INO MolecularWeight: 453.40005

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CCCC)CC1=CC2=CC=CC=C2C3=C1COC3.[I-]

Isomeric SMILES

CCCC[N+](C)(CCCC)CC1=CC2=CC=CC=C2C3=C1COC3.[I-]

InChI

InChI=1S/C22H32NO.HI/c1-4-6-12-23(3,13-7-5-2)15-19-14-18-10-8-9-11-20(18)22-17-24-16-21(19)22;/h8-11,14H,4-7,12-13,15-17H2,1-3H3;1H/q+1;/p-1