(2Z)-2-[[1-(3-iodanylpropyl)quinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzoxazole iodide

Systemtic Name: (2Z)-2-[[1-(3-iodanylpropyl)quinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzoxazole iodide Openeye Name: (2Z)-2-[[1-(3-iodopropyl)quinolin-1-ium-4-yl]methylene]-3-methyl-1,3-benzoxazole iodide CAS Name: (2Z)-2-[[1-(3-iodopropyl)-4-quinolin-1-iumyl]methylidene]-3-methyl-1,3-benzoxazole iodide IUPAC Name: (2Z)-2-[[1-(3-iodopropyl)quinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzoxazole iodide Traditional Name: (2Z)-2-[[1-(3-iodopropyl)quinolin-1-ium-4-yl]methylene]-3-methyl-1,3-benzoxazole iodide Formula: C21H20I2N2O MolecularWeight: 570.20524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2OC1=CC3=CC=[N+](C4=CC=CC=C34)CCCI.[I-]

Isomeric SMILES

CN\1C2=CC=CC=C2O/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCCI.[I-]

InChI

InChI=1S/C21H20IN2O.HI/c1-23-19-9-4-5-10-20(19)25-21(23)15-16-11-14-24(13-6-12-22)18-8-3-2-7-17(16)18;/h2-5,7-11,14-15H,6,12-13H2,1H3;1H/q+1;/p-1