4-[(E)-2-(1-butyl-3,3-dimethyl-indol-1-ium-2-yl)ethenyl]-2,6-bis(iodanyl)phenol

Systemtic Name: 4-[(E)-2-(1-butyl-3,3-dimethyl-indol-1-ium-2-yl)ethenyl]-2,6-bis(iodanyl)phenol Openeye Name: 4-[(E)-2-(1-butyl-3,3-dimethyl-indol-1-ium-2-yl)vinyl]-2,6-diiodo-phenol CAS Name: 4-[(E)-2-(1-butyl-3,3-dimethyl-2-indol-1-iumyl)ethenyl]-2,6-diiodophenol IUPAC Name: 4-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2,6-diiodophenol Traditional Name: 4-[(E)-2-(1-butyl-3,3-dimethyl-indol-1-ium-2-yl)vinyl]-2,6-diiodo-phenol Formula: C22H24I2NO+ MolecularWeight: 572.241

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C=CC3=CC(=C(C(=C3)I)O)I

Isomeric SMILES

CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=C/C3=CC(=C(C(=C3)I)O)I

InChI

InChI=1S/C22H23I2NO/c1-4-5-12-25-19-9-7-6-8-16(19)22(2,3)20(25)11-10-15-13-17(23)21(26)18(24)14-15/h6-11,13-14H,4-5,12H2,1-3H3/p+1