3-ethyl-2-[(E)-(3,4,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2-[(E)-(3,4,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-[(E)-(3,4,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-[(E)-(3,4,5-trimethyl-1-cyclohex-2-enylidene)methyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-[(E)-(3,4,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-[(E)-(3,4,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Formula: C19H24INS MolecularWeight: 425.37003

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3CC(C(C(=C3)C)C)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\CC(C(C(=C3)C)C)C.[I-]

InChI

InChI=1S/C19H24NS.HI/c1-5-20-17-8-6-7-9-18(17)21-19(20)12-16-10-13(2)15(4)14(3)11-16;/h6-10,12,14-15H,5,11H2,1-4H3;1H/q+1;/p-1/b16-12-;