N-[2-(6-chloranyl-3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide

Systemtic Name: N-[2-(6-chloranyl-3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide Openeye Name: N-[2-(6-chloro-3-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]aniline iodide CAS Name: N-[2-(6-chloro-3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide IUPAC Name: N-[2-(6-chloro-3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide Traditional Name: 2-(6-chloro-3-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl-phenyl-amine iodide Formula: C16H14ClIN2O MolecularWeight: 412.65263

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=C1C=CC(=C2)Cl)C=CNC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=C(OC2=C1C=CC(=C2)Cl)C=CNC3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H13ClN2O.HI/c1-19-14-8-7-12(17)11-15(14)20-16(19)9-10-18-13-5-3-2-4-6-13;/h2-11H,1H3;1H