(2E)-2-[1-(3-iodanylpropyl)quinolin-4-ylidene]-3,4-dimethyl-3H-1,3-benzoxazol-3-ium iodide

Systemtic Name: (2E)-2-[1-(3-iodanylpropyl)quinolin-4-ylidene]-3,4-dimethyl-3H-1,3-benzoxazol-3-ium iodide Openeye Name: (2E)-2-[1-(3-iodopropyl)-4-quinolylidene]-3,4-dimethyl-3H-1,3-benzoxazol-3-ium iodide CAS Name: (2E)-2-[1-(3-iodopropyl)-4-quinolinylidene]-3,4-dimethyl-3H-1,3-benzoxazol-3-ium iodide IUPAC Name: (2E)-2-[1-(3-iodopropyl)quinolin-4-ylidene]-3,4-dimethyl-3H-1,3-benzoxazol-3-ium iodide Traditional Name: (2E)-2-[1-(3-iodopropyl)-4-quinolylidene]-3,4-dimethyl-3H-1,3-benzoxazol-3-ium iodide Formula: C21H22I2N2O MolecularWeight: 572.22112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=C3C=CN(C4=CC=CC=C34)CCCI)[NH+]2C.[I-]

Isomeric SMILES

CC1=C2C(=CC=C1)O/C(=C/3\C=CN(C4=CC=CC=C34)CCCI)/[NH+]2C.[I-]

InChI

InChI=1S/C21H21IN2O.HI/c1-15-7-5-10-19-20(15)23(2)21(25-19)17-11-14-24(13-6-12-22)18-9-4-3-8-16(17)18;/h3-5,7-11,14H,6,12-13H2,1-2H3;1H/b21-17+;