6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide

Systemtic Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide Openeye Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide CAS Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide IUPAC Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide Traditional Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazol[2,1-a]isoquinolin-12-ium iodide Formula: C20H23IN2 MolecularWeight: 418.31449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=CC=CC=C2C3=[N+](C4=CC=CC=C4N13)C.[I-]

Isomeric SMILES

CCCCC1CC2=CC=CC=C2C3=[N+](C4=CC=CC=C4N13)C.[I-]

InChI

InChI=1S/C20H23N2.HI/c1-3-4-10-16-14-15-9-5-6-11-17(15)20-21(2)18-12-7-8-13-19(18)22(16)20;/h5-9,11-13,16H,3-4,10,14H2,1-2H3;1H/q+1;/p-1