1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl-methyl-dipropyl-azanium iodide

Systemtic Name: 1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl-methyl-dipropyl-azanium iodide Openeye Name: 1,3-dihydrobenzo[e]isobenzofuran-4-ylmethyl-methyl-dipropyl-ammonium iodide CAS Name: 1,3-dihydrobenzo[e]isobenzofuran-4-ylmethyl-methyl-dipropylammonium iodide IUPAC Name: 1,3-dihydrobenzo[e][2]benzofuran-4-ylmethyl-methyl-dipropylazanium iodide Traditional Name: 1,3-dihydrobenz[e]isobenzofuran-4-ylmethyl-methyl-dipropyl-ammonium iodide Formula: C20H28INO MolecularWeight: 425.34689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28NO.HI/c1-4-10-21(3,11-5-2)13-17-12-16-8-6-7-9-18(16)20-15-22-14-19(17)20;/h6-9,12H,4-5,10-11,13-15H2,1-3H3;1H/q+1;/p-1