3-methyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-methyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-methyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-methyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-methyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-benzothiazol-3-ium iodide Formula: C18H16INS MolecularWeight: 405.29581

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC=CC3=CC=CC=C3.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16NS.HI/c1-19-16-12-6-7-13-17(16)20-18(19)14-8-5-11-15-9-3-2-4-10-15;/h2-14H,1H3;1H/q+1;/p-1/b11-5+,14-8+;