N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-1-ium-2-yl)ethenyl]aniline iodide

Systemtic Name: N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-1-ium-2-yl)ethenyl]aniline iodide Openeye Name: N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-1-ium-2-yl)vinyl]aniline iodide CAS Name: N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-1-ium-2-yl)ethenyl]aniline iodide IUPAC Name: N-[(E)-2-(3-methyl-2H-1,3-benzoxazol-1-ium-2-yl)ethenyl]aniline iodide Traditional Name: [(E)-2-(3-methyl-2H-1,3-benzoxazol-1-ium-2-yl)vinyl]-phenyl-amine iodide Formula: C16H17IN2O MolecularWeight: 380.22345

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Descriptors Computed from Structure

Canonical SMILES:

CN1C([OH+]C2=CC=CC=C21)C=CNC3=CC=CC=C3.[I-]

Isomeric SMILES

CN1C([OH+]C2=CC=CC=C21)/C=C/NC3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H16N2O.HI/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;/h2-12,16-17H,1H3;1H/b12-11+;