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

Systemtic Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol iodide Openeye Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol iodide CAS Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol iodide IUPAC Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol iodide Traditional Name: 6-butyl-12-methyl-5,6-dihydrobenzimidazol[2,1-a]isoquinolin-12-ium-3,9-diol iodide Formula: C20H23IN2O2 MolecularWeight: 450.31329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2.HI/c1-3-4-5-14-10-13-11-15(23)6-8-17(13)20-21(2)18-9-7-16(24)12-19(18)22(14)20;/h6-9,11-12,14,24H,3-5,10H2,1-2H3;1H