3-ethyl-2-[(E)-(3-ethyl-5,5-dimethyl-cyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2-[(E)-(3-ethyl-5,5-dimethyl-cyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-[(E)-(3-ethyl-5,5-dimethyl-cyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-[(E)-(3-ethyl-5,5-dimethyl-1-cyclohex-2-enylidene)methyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-[(E)-(3-ethyl-5,5-dimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-[(E)-(3-ethyl-5,5-dimethyl-cyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Formula: C20H26INS MolecularWeight: 439.39661

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=[N+](C3=CC=CC=C3S2)CC)CC(C1)(C)C.[I-]

Isomeric SMILES

CCC1=C/C(=C/C2=[N+](C3=CC=CC=C3S2)CC)/CC(C1)(C)C.[I-]

InChI

InChI=1S/C20H26NS.HI/c1-5-15-11-16(14-20(3,4)13-15)12-19-21(6-2)17-9-7-8-10-18(17)22-19;/h7-12H,5-6,13-14H2,1-4H3;1H/q+1;/p-1/b16-12-;