(4E)-3-(diethylamino)-4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclobut-2-en-1-one iodide

Systemtic Name: (4E)-3-(diethylamino)-4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclobut-2-en-1-one iodide Openeye Name: (4E)-3-(diethylamino)-4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclobut-2-en-1-one iodide CAS Name: (4E)-3-(diethylamino)-4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1-cyclobut-2-enone iodide IUPAC Name: (4E)-3-(diethylamino)-4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclobut-2-en-1-one iodide Traditional Name: (4E)-3-(diethylamino)-4-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclobut-2-en-1-one iodide Formula: C28H30IN3OS2 MolecularWeight: 615.59177

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=C(C(=CC4=[N+](C5=CC=CC=C5S4)CC)C3=O)N(CC)CC.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C3=C(/C(=C\C4=[N+](C5=CC=CC=C5S4)CC)/C3=O)N(CC)CC.[I-]

InChI

InChI=1S/C28H30N3OS2.HI/c1-5-29(6-2)27-19(17-25-30(7-3)21-13-9-11-15-23(21)33-25)28(32)20(27)18-26-31(8-4)22-14-10-12-16-24(22)34-26;/h9-18H,5-8H2,1-4H3;1H/q+1;/p-1