3-ethyl-2-[[3-[(2-ethyl-6-methyl-isoquinolin-2-ium-1-yl)methylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole

Systemtic Name: 3-ethyl-2-[[3-[(2-ethyl-6-methyl-isoquinolin-2-ium-1-yl)methylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole Openeye Name: 3-ethyl-2-[[3-[(2-ethyl-6-methyl-isoquinolin-2-ium-1-yl)methylene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole CAS Name: 3-ethyl-2-[[3-[(2-ethyl-6-methyl-1-isoquinolin-2-iumyl)methylidene]-5,5-dimethyl-1-cyclohexenyl]methylidene]-1,3-benzothiazole IUPAC Name: 3-ethyl-2-[[3-[(2-ethyl-6-methylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole Traditional Name: 3-ethyl-2-[[3-[(2-ethyl-6-methyl-isoquinolin-2-ium-1-yl)methylene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole Formula: C31H35N2S+ MolecularWeight: 467.688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=CC4=[N+](C=CC5=C4C=CC(=C5)C)CC)CC(C3)(C)C

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=CC(=CC4=[N+](C=CC5=C4C=CC(=C5)C)CC)CC(C3)(C)C

InChI

InChI=1S/C31H35N2S/c1-6-32-15-14-25-16-22(3)12-13-26(25)28(32)18-23-17-24(21-31(4,5)20-23)19-30-33(7-2)27-10-8-9-11-29(27)34-30/h8-19H,6-7,20-21H2,1-5H3/q+1