4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium iodide

Systemtic Name: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium iodide Openeye Name: 4-methyl-4-[3-(2-methylisoindolin-2-ium-2-yl)propyl]morpholin-4-ium iodide CAS Name: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium iodide IUPAC Name: 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium iodide Traditional Name: 4-methyl-4-[3-(2-methylisoindolin-2-ium-2-yl)propyl]morpholin-4-ium iodide Formula: C17H28IN2O+ MolecularWeight: 403.32149

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCC[N+]2(CC3=CC=CC=C3C2)C.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CCC[N+]2(CC3=CC=CC=C3C2)C.[I-]

InChI

InChI=1S/C17H28N2O.HI/c1-18(10-12-20-13-11-18)8-5-9-19(2)14-16-6-3-4-7-17(16)15-19;/h3-4,6-7H,5,8-15H2,1-2H3;1H/q+2;/p-1