3-ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5,5-trimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole

Systemtic Name: 3-ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5,5-trimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole Openeye Name: 3-ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2,5,5-trimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole CAS Name: 3-ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5,5-trimethyl-1-cyclohexenyl]methylidene]-1,3-benzothiazole IUPAC Name: 3-ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5,5-trimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole Traditional Name: 3-ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-2,5,5-trimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole Formula: C29H33N2S2+ MolecularWeight: 473.71572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N2S2/c1-6-30-23-12-8-10-14-25(23)32-27(30)16-21-18-29(4,5)19-22(20(21)3)17-28-31(7-2)24-13-9-11-15-26(24)33-28/h8-17H,6-7,18-19H2,1-5H3/q+1