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

Systemtic Name: 1-methyl-8-nonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide Openeye Name: 1-methyl-8-nonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide CAS Name: 1-methyl-8-nonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide IUPAC Name: 1-methyl-8-nonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-8-ium iodide Traditional Name: 1-methyl-8-nonyl-2,3,3a,4,5,9b-hexahydropyrrol[3,2-h]isoquinolin-8-ium iodide Formula: C21H35IN2 MolecularWeight: 442.42047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2.HI/c1-3-4-5-6-7-8-9-14-23-16-13-18-10-11-19-12-15-22(2)21(19)20(18)17-23;/h13,16-17,19,21H,3-12,14-15H2,1-2H3;1H/q+1;/p-1