1-methyl-8-undecyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide

Systemtic Name: 1-methyl-8-undecyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide Openeye Name: 1-methyl-8-undecyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide CAS Name: 1-methyl-8-undecyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide IUPAC Name: 1-methyl-8-undecyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide Traditional Name: 1-methyl-8-undecyl-2,3,3a,4,5,9b-hexahydropyrrol[3,2-h]isoquinolin-8-ium iodide Formula: C23H39IN2 MolecularWeight: 470.47363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[N+]1=CC2=C(CCC3C2N(CC3)C)C=C1.[I-]

Isomeric SMILES

CCCCCCCCCCC[N+]1=CC2=C(CCC3C2N(CC3)C)C=C1.[I-]

InChI

InChI=1S/C23H39N2.HI/c1-3-4-5-6-7-8-9-10-11-16-25-18-15-20-12-13-21-14-17-24(2)23(21)22(20)19-25;/h15,18-19,21,23H,3-14,16-17H2,1-2H3;1H/q+1;/p-1