3-[4-(1-methyl-2,3-dihydroindol-1-ium-1-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole iodide

Systemtic Name: 3-[4-(1-methyl-2,3-dihydroindol-1-ium-1-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole iodide Openeye Name: 3-[4-(1-methylindolin-1-ium-1-yl)but-2-ynoxy]-4,5-dihydroisoxazole iodide CAS Name: 3-[4-(1-methyl-2,3-dihydroindol-1-ium-1-yl)but-2-ynoxy]-4,5-dihydroisoxazole iodide IUPAC Name: 3-[4-(1-methyl-2,3-dihydroindol-1-ium-1-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole iodide Traditional Name: 3-[4-(1-methylindolin-1-ium-1-yl)but-2-ynoxy]-2-isoxazoline iodide Formula: C16H19IN2O2 MolecularWeight: 398.23873

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC=CC=C21)CC#CCOC3=NOCC3.[I-]

Isomeric SMILES

C[N+]1(CCC2=CC=CC=C21)CC#CCOC3=NOCC3.[I-]

InChI

InChI=1S/C16H19N2O2.HI/c1-18(11-8-14-6-2-3-7-15(14)18)10-4-5-12-19-16-9-13-20-17-16;/h2-3,6-7H,8-13H2,1H3;1H/q+1;/p-1