6-butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide

Systemtic Name: 6-butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide Openeye Name: 6-butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide CAS Name: 6-butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide IUPAC Name: 6-butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium iodide Traditional Name: 6-butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazol[2,1-a]isoquinolin-12-ium iodide Formula: C22H27IN2O2 MolecularWeight: 478.36645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=C(C=CC(=C2)OC)C3=[N+](C4=C(N13)C=C(C=C4)OC)C.[I-]

Isomeric SMILES

CCCCC1CC2=C(C=CC(=C2)OC)C3=[N+](C4=C(N13)C=C(C=C4)OC)C.[I-]

InChI

InChI=1S/C22H27N2O2.HI/c1-5-6-7-16-12-15-13-17(25-3)8-10-19(15)22-23(2)20-11-9-18(26-4)14-21(20)24(16)22;/h8-11,13-14,16H,5-7,12H2,1-4H3;1H/q+1;/p-1