3-butyl-3,4-dimethyl-1-phenyl-1H-[1,3]oxazolo[3,4-a]benzimidazol-4-ium iodide

Systemtic Name: 3-butyl-3,4-dimethyl-1-phenyl-1H-[1,3]oxazolo[3,4-a]benzimidazol-4-ium iodide Openeye Name: 3-butyl-3,4-dimethyl-1-phenyl-1H-oxazolo[3,4-a]benzimidazol-4-ium iodide CAS Name: 3-butyl-3,4-dimethyl-1-phenyl-1H-oxazolo[3,4-a]benzimidazol-4-ium iodide IUPAC Name: 3-butyl-3,4-dimethyl-1-phenyl-1H-[1,3]oxazolo[3,4-a]benzimidazol-4-ium iodide Traditional Name: 3-butyl-3,4-dimethyl-1-phenyl-1H-oxazolo[3,4-a]benzimidazol-4-ium iodide Formula: C21H25IN2O MolecularWeight: 448.34047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=[N+](C3=CC=CC=C3N2C(O1)C4=CC=CC=C4)C)C.[I-]

Isomeric SMILES

CCCCC1(C2=[N+](C3=CC=CC=C3N2C(O1)C4=CC=CC=C4)C)C.[I-]

InChI

InChI=1S/C21H25N2O.HI/c1-4-5-15-21(2)20-22(3)17-13-9-10-14-18(17)23(20)19(24-21)16-11-7-6-8-12-16;/h6-14,19H,4-5,15H2,1-3H3;1H/q+1;/p-1