2-butyl-2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium iodide

Systemtic Name: 2-butyl-2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium iodide Openeye Name: 2-butyl-2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium iodide CAS Name: 2-butyl-2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium iodide IUPAC Name: 2-butyl-2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium iodide Traditional Name: 2-butyl-2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium iodide Formula: C13H24IN MolecularWeight: 321.24083

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC2CC=CCC2C1)C.[I-]

Isomeric SMILES

CCCC[N+]1(CC2CC=CCC2C1)C.[I-]

InChI

InChI=1S/C13H24N.HI/c1-3-4-9-14(2)10-12-7-5-6-8-13(12)11-14;/h5-6,12-13H,3-4,7-11H2,1-2H3;1H/q+1;/p-1