N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide

Systemtic Name: N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide Openeye Name: N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide CAS Name: N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide IUPAC Name: N-[(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline iodide Traditional Name: [(1E,3Z)-3-ethoxy-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-phenyl-amine iodide Formula: C21H23IN2OS MolecularWeight: 478.38959

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C(C=CNC3=CC=CC=C3)OCC.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C(/C=C/NC3=CC=CC=C3)\OCC.[I-]

InChI

InChI=1S/C21H22N2OS.HI/c1-3-23-19-12-8-9-13-20(19)25-21(23)16-18(24-4-2)14-15-22-17-10-6-5-7-11-17;/h5-16H,3-4H2,1-2H3;1H