2-(2H-chromen-3-yl)-3-ethyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-(2H-chromen-3-yl)-3-ethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-(2H-chromen-3-yl)-3-ethyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-(2H-1-benzopyran-3-yl)-3-ethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-(2H-chromen-3-yl)-3-ethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-(2H-chromen-3-yl)-3-ethyl-1,3-benzothiazol-3-ium iodide Formula: C18H16INOS MolecularWeight: 421.29521

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C3=CC4=CC=CC=C4OC3.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C3=CC4=CC=CC=C4OC3.[I-]

InChI

InChI=1S/C18H16NOS.HI/c1-2-19-15-8-4-6-10-17(15)21-18(19)14-11-13-7-3-5-9-16(13)20-12-14;/h3-11H,2,12H2,1H3;1H/q+1;/p-1